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N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide

CAS: 23676-63-3

Formula: C8H12N4O

SMILES: CC(=O)NCC1=CN=C(C)N=C1N

IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide

InChI: InChI=1S/C8H12N4O/c1-5-10-3-7(8(9)12-5)4-11-6(2)13/h3H,4H2,1-2H3,(H,11,13)(H2,9,10,12)

Composition: C (53.32%), H (6.71%), N (31.09%), O (8.88%)

Molar Mass: 180.211

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 180.101111022
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SXZFUSAWDLRCLQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.28
Topological Polar Surface Area 80.9
Polarizability 18.2
Ring Count 1
Rotatable Bond Count 2

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