N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide

C23H32N4O — CID 42670856

IUPACN-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C1CCCCC1
InChIInChI=1S/C23H32N4O/c1-5-17(3)25-23(28)20-15-24-21(18-11-9-10-16(2)14-18)26-22(20)27(4)19-12-7-6-8-13-19/h9-11,14-15,17,19H,5-8,12-13H2,1-4H3,(H,25,28)
InChIKeyLBDAVXVMVNTANP-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.75
Rot. Bonds6

About N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide

N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 42670856) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID42670856
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C1CCCCC1
InChIInChI=1S/C23H32N4O/c1-5-17(3)25-23(28)20-15-24-21(18-11-9-10-16(2)14-18)26-22(20)27(4)19-12-7-6-8-13-19/h9-11,14-15,17,19H,5-8,12-13H2,1-4H3,(H,25,28)
InChIKeyLBDAVXVMVNTANP-UHFFFAOYSA-N
XLogP4.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670860
4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670864
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670942
[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 42670869
N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670889
N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide
CID 42670833
N-cyclopropyl-4-(dimethylamino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670807
2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
CID 42670835
N-[(2S)-butan-2-yl]-4-(dimethylamino)-2-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 93140853
[4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42821172
N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide
CID 42822223
4-[benzyl(methyl)amino]-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 42670820

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide (CID 42670856) is N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C1CCCCC1.
What is the InChIKey of N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is LBDAVXVMVNTANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-5-17(3)25-23(28)20-15-24-21(18-11-9-10-16(2)14-18)26-22(20)27(4)19-12-7-6-8-13-19/h9-11,14-15,17,19H,5-8,12-13H2,1-4H3,(H,25,28).
What are the key properties of N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide?
N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).