N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide

C18H23N3O — CID 60547417

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C18H23N3O/c1-11(2)14-7-6-8-15(12(3)4)17(14)21-18(22)16-9-10-19-13(5)20-16/h6-12H,1-5H3,(H,21,22)
InChIKeyWZFHTPZTRZNRKR-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.28
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 60547417) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
PubChem CID60547417
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C18H23N3O/c1-11(2)14-7-6-8-15(12(3)4)17(14)21-18(22)16-9-10-19-13(5)20-16/h6-12H,1-5H3,(H,21,22)
InChIKeyWZFHTPZTRZNRKR-UHFFFAOYSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307573
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312897
2-(N-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314201
2-(butylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109296413
6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 115496693
2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305558
N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide
CID 109201269
(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid
CID 110836208
N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109318587
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316296
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide (CID 60547417) is N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is WZFHTPZTRZNRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11(2)14-7-6-8-15(12(3)4)17(14)21-18(22)16-9-10-19-13(5)20-16/h6-12H,1-5H3,(H,21,22).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 60547417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).