ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate

C13H14N4O2 — CID 102972483

IUPACethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccnc(C)n2)nc1C
InChIInChI=1S/C13H14N4O2/c1-4-19-13(18)10-7-15-12(16-8(10)2)11-5-6-14-9(3)17-11/h5-7H,4H2,1-3H3
InChIKeyPRARABGHOHBXTG-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.73
Rot. Bonds3

About ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate (PubChem CID 102972483) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate
PubChem CID102972483
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Nameethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccnc(C)n2)nc1C
InChIInChI=1S/C13H14N4O2/c1-4-19-13(18)10-7-15-12(16-8(10)2)11-5-6-14-9(3)17-11/h5-7H,4H2,1-3H3
InChIKeyPRARABGHOHBXTG-UHFFFAOYSA-N
XLogP1.73
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 102972377
ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate
CID 102972459
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 4-chloro-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 114213771
ethyl 2-(2-chloro-4-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 102972448
ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate
CID 143781465
4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 113329643
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102972473

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate (CID 102972483) is ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccnc(C)n2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate?
The InChIKey is PRARABGHOHBXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-4-19-13(18)10-7-15-12(16-8(10)2)11-5-6-14-9(3)17-11/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 102972483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).