6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide

C14H15N3O2 — CID 121167580

IUPAC6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)cc2)ncn1
InChIInChI=1S/C14H15N3O2/c1-3-19-13-8-12(15-9-16-13)14(18)17-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyOKPOHNFQZCZOMM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.44
Rot. Bonds4

About 6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide

6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 121167580) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID121167580
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)cc2)ncn1
InChIInChI=1S/C14H15N3O2/c1-3-19-13-8-12(15-9-16-13)14(18)17-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyOKPOHNFQZCZOMM-UHFFFAOYSA-N
XLogP2.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 91816304
N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
CID 91816313
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide
CID 121167574
6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide
CID 91816322
N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167671
6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 91816253
ethyl 2-[(6-ethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167557
N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167627
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 121167580) is 6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2ccc(C)cc2)ncn1.
What is the InChIKey of 6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is OKPOHNFQZCZOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-19-13-8-12(15-9-16-13)14(18)17-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121167580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).