4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide

C16H19N3O — CID 116897034

IUPAC4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide
SMILESCc1cc(-c2ccc(C(C)(C)C)cc2)nc(C(N)=O)n1
InChIInChI=1S/C16H19N3O/c1-10-9-13(19-15(18-10)14(17)20)11-5-7-12(8-6-11)16(2,3)4/h5-9H,1-4H3,(H2,17,20)
InChIKeyXTMPFAOCASJZRW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.85
Rot. Bonds2

About 4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide

4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide (PubChem CID 116897034) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide
PubChem CID116897034
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide
SMILESCc1cc(-c2ccc(C(C)(C)C)cc2)nc(C(N)=O)n1
InChIInChI=1S/C16H19N3O/c1-10-9-13(19-15(18-10)14(17)20)11-5-7-12(8-6-11)16(2,3)4/h5-9H,1-4H3,(H2,17,20)
InChIKeyXTMPFAOCASJZRW-UHFFFAOYSA-N
XLogP2.85
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892469
4-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidine-2-carboxamide
CID 116897045
6-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 22557494
4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid
CID 28799538
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid
CID 155338252
4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine
CID 22135532
6-(4-tert-butylphenyl)pyrimidine-2,4-diamine
CID 106878479
4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 135619683
iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)
CID 175287242

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide?
The IUPAC name of 4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide (CID 116897034) is 4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide is Cc1cc(-c2ccc(C(C)(C)C)cc2)nc(C(N)=O)n1.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide?
The InChIKey is XTMPFAOCASJZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-9-13(19-15(18-10)14(17)20)11-5-7-12(8-6-11)16(2,3)4/h5-9H,1-4H3,(H2,17,20).
What are the key properties of 4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide?
4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 116897034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).