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methyl 4-(pyrimidin-2-ylamino)butanoate

methyl 4-(pyrimidin-2-ylamino)butanoate

CAS: 339016-47-6

Formula: C9H13N3O2

SMILES: COC(=O)CCCNC1=NC=CC=N1

IUPAC: methyl 4-[(pyrimidin-2-yl)amino]butanoate

InChI: InChI=1S/C9H13N3O2/c1-14-8(13)4-2-5-10-9-11-6-3-7-12-9/h3,6-7H,2,4-5H2,1H3,(H,10,11,12)

Composition: C (55.37%), H (6.71%), N (21.52%), O (16.39%)

Molar Mass: 195.222

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 195.100776671
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YCFCCSHJEPEXCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.17
Topological Polar Surface Area 64.11
Polarizability 19.69
Ring Count 1
Rotatable Bond Count 6

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Purity (%)
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 339016-47-6 $51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07
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