N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide

C14H15N3O2 — CID 121167280

IUPACN-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cc(C)cc(C)c2)ncn1
InChIInChI=1S/C14H15N3O2/c1-9-4-10(2)6-11(5-9)17-14(18)12-7-13(19-3)16-8-15-12/h4-8H,1-3H3,(H,17,18)
InChIKeyRYENIQKTIPWQKE-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.35
Rot. Bonds3

About N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide (PubChem CID 121167280) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
PubChem CID121167280
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cc(C)cc(C)c2)ncn1
InChIInChI=1S/C14H15N3O2/c1-9-4-10(2)6-11(5-9)17-14(18)12-7-13(19-3)16-8-15-12/h4-8H,1-3H3,(H,17,18)
InChIKeyRYENIQKTIPWQKE-UHFFFAOYSA-N
XLogP2.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 121167293
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
6-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]pyrimidine-4-carboxamide
CID 121167435
N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167268
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351185
6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 121167320
N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339512

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide (CID 121167280) is N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)Nc2cc(C)cc(C)c2)ncn1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide?
The InChIKey is RYENIQKTIPWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-4-10(2)6-11(5-9)17-14(18)12-7-13(19-3)16-8-15-12/h4-8H,1-3H3,(H,17,18).
What are the key properties of N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).