2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C16H19N3O — CID 110858050

IUPAC2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)C)nc(C)n1
InChIInChI=1S/C16H19N3O/c1-10(2)13-7-5-6-8-14(13)19-16(20)15-9-11(3)17-12(4)18-15/h5-10H,1-4H3,(H,19,20)
InChIKeyJVDDBJUIFIPGJE-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.47
Rot. Bonds3

About 2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 110858050) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID110858050
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)C)nc(C)n1
InChIInChI=1S/C16H19N3O/c1-10(2)13-7-5-6-8-14(13)19-16(20)15-9-11(3)17-12(4)18-15/h5-10H,1-4H3,(H,19,20)
InChIKeyJVDDBJUIFIPGJE-UHFFFAOYSA-N
XLogP3.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112848488
N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131942915
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849625
2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109336526
6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849615
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109330702
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109331809
2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109360676
3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109336503
N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859086

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 110858050) is 2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(C)C)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is JVDDBJUIFIPGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10(2)13-7-5-6-8-14(13)19-16(20)15-9-11(3)17-12(4)18-15/h5-10H,1-4H3,(H,19,20).
What are the key properties of 2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 110858050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).