ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate

C14H15N3O2 — CID 102972377

IUPACethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccc(C)n2)nc1C
InChIInChI=1S/C14H15N3O2/c1-4-19-14(18)11-8-15-13(17-10(11)3)12-7-5-6-9(2)16-12/h5-8H,4H2,1-3H3
InChIKeyIYLPKCQPHMFPGO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.33
Rot. Bonds3

About ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate (PubChem CID 102972377) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate
PubChem CID102972377
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Nameethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccc(C)n2)nc1C
InChIInChI=1S/C14H15N3O2/c1-4-19-14(18)11-8-15-13(17-10(11)3)12-7-5-6-9(2)16-12/h5-8H,4H2,1-3H3
InChIKeyIYLPKCQPHMFPGO-UHFFFAOYSA-N
XLogP2.33
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate
CID 102972483
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 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102972473
ethyl 1-methyl-5-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxylate
CID 63381925
ethyl 2-(2-chloro-4-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 102972448
ethyl 4-ethyl-2-(2H-triazol-4-yl)pyrimidine-5-carboxylate
CID 102972829
ethyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 83179210
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
ethyl 2-[(3-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 20855185

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate (CID 102972377) is ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cccc(C)n2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate?
The InChIKey is IYLPKCQPHMFPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-4-19-14(18)11-8-15-13(17-10(11)3)12-7-5-6-9(2)16-12/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 102972377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).