2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C18H23ClN4O — CID 109321297

IUPAC2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1nc(C)cc(C(=O)Nc2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C18H23ClN4O/c1-6-12(4)20-18-21-13(5)9-15(22-18)17(24)23-16-11(3)7-10(2)8-14(16)19/h7-9,12H,6H2,1-5H3,(H,23,24)(H,20,21,22)
InChIKeyCZELVAAZFSTKRC-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.52
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109321297) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109321297
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1nc(C)cc(C(=O)Nc2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C18H23ClN4O/c1-6-12(4)20-18-21-13(5)9-15(22-18)17(24)23-16-11(3)7-10(2)8-14(16)19/h7-9,12H,6H2,1-5H3,(H,23,24)(H,20,21,22)
InChIKeyCZELVAAZFSTKRC-UHFFFAOYSA-N
XLogP4.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109321282
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321274
4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109203542
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325499
2-(butan-2-ylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109321368
2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321277
2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319063
N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide
CID 109321317
methyl 3-[[2-(butan-2-ylamino)-6-methylpyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109321323
6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109333110
2-(butan-2-ylamino)-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321315
N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337379

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109321297) is 2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is CCC(C)Nc1nc(C)cc(C(=O)Nc2c(C)cc(C)cc2Cl)n1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is CZELVAAZFSTKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-6-12(4)20-18-21-13(5)9-15(22-18)17(24)23-16-11(3)7-10(2)8-14(16)19/h7-9,12H,6H2,1-5H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).