2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

C18H24N4O — CID 109360676

IUPAC2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C(C)C)cc(C(=O)NC(C)C)n1
InChIInChI=1S/C18H24N4O/c1-11(2)14-8-6-7-9-15(14)22-17-10-16(20-13(5)21-17)18(23)19-12(3)4/h6-12H,1-5H3,(H,19,23)(H,20,21,22)
InChIKeyRZVCZMJHFAGGJP-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.79
Rot. Bonds5

About 2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109360676) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109360676
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C(C)C)cc(C(=O)NC(C)C)n1
InChIInChI=1S/C18H24N4O/c1-11(2)14-8-6-7-9-15(14)22-17-10-16(20-13(5)21-17)18(23)19-12(3)4/h6-12H,1-5H3,(H,19,23)(H,20,21,22)
InChIKeyRZVCZMJHFAGGJP-UHFFFAOYSA-N
XLogP3.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362973
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109370459
N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109373430
6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849615
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849625
2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 112848714
2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 110858050
6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849713
6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109360676) is 2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2C(C)C)cc(C(=O)NC(C)C)n1.
What is the InChIKey of 2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is RZVCZMJHFAGGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11(2)14-8-6-7-9-15(14)22-17-10-16(20-13(5)21-17)18(23)19-12(3)4/h6-12H,1-5H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109360676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).