ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate

C15H17N3O2 — CID 102972459

IUPACethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ncccc2CC)nc1C
InChIInChI=1S/C15H17N3O2/c1-4-11-7-6-8-16-13(11)14-17-9-12(10(3)18-14)15(19)20-5-2/h6-9H,4-5H2,1-3H3
InChIKeyPADIQBSQCRODMF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.59
Rot. Bonds4

About ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate

ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate (PubChem CID 102972459) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate
PubChem CID102972459
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ncccc2CC)nc1C
InChIInChI=1S/C15H17N3O2/c1-4-11-7-6-8-16-13(11)14-17-9-12(10(3)18-14)15(19)20-5-2/h6-9H,4-5H2,1-3H3
InChIKeyPADIQBSQCRODMF-UHFFFAOYSA-N
XLogP2.59
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-bromo-2-pyridinyl)-4-ethylpyrimidine-5-carboxylate
CID 102972858
ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate
CID 102972483
ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 102972377
2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 82740850
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
ethyl 2-(2-chloro-4-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 102972448
ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate
CID 102972511
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
CID 134833739

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate (CID 102972459) is ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ncccc2CC)nc1C.
What is the InChIKey of ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate?
The InChIKey is PADIQBSQCRODMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-11-7-6-8-16-13(11)14-17-9-12(10(3)18-14)15(19)20-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).