1,3-dimethyl 2-(pyrimidin-2-yl)propanedioate

1,3-dimethyl 2-(pyrimidin-2-yl)propanedioate

CAS: 93271-75-1

Formula: C9H10N2O4

SMILES: COC(=O)C(C(=O)OC)C1=NC=CC=N1

IUPAC: 1,3-dimethyl 2-(pyrimidin-2-yl)propanedioate

InChI: InChI=1S/C9H10N2O4/c1-14-8(12)6(9(13)15-2)7-10-4-3-5-11-7/h3-6H,1-2H3

Composition: C (51.43%), H (4.80%), N (13.33%), O (30.45%)

Molar Mass: 210.189

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.06405681
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UBEKYGUUQKFFTI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.52
Topological Polar Surface Area	78.38
Polarizability	19.4
Ring Count	1
Rotatable Bond Count	5

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