2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide

C24H42N6O — CID 144944253

IUPAC2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCCCNc1ncc(C(=O)NCC2CCN(C(C)C)CC2)c(NC2CCCCC2)n1
InChIInChI=1S/C24H42N6O/c1-4-5-13-25-24-27-17-21(22(29-24)28-20-9-7-6-8-10-20)23(31)26-16-19-11-14-30(15-12-19)18(2)3/h17-20H,4-16H2,1-3H3,(H,26,31)(H2,25,27,28,29)
InChIKeyFEYRVJLKIOSNAT-UHFFFAOYSA-N
MW430.64 g/mol
LogP4.28
Rot. Bonds10

About 2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide

2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 144944253) has the molecular formula C24H42N6O and a molecular weight of 430.64 g/mol. Its IUPAC name is 2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
PubChem CID144944253
Molecular FormulaC24H42N6O
Molecular Weight430.64 g/mol
Exact Mass430.34
IUPAC Name2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCCCNc1ncc(C(=O)NCC2CCN(C(C)C)CC2)c(NC2CCCCC2)n1
InChIInChI=1S/C24H42N6O/c1-4-5-13-25-24-27-17-21(22(29-24)28-20-9-7-6-8-10-20)23(31)26-16-19-11-14-30(15-12-19)18(2)3/h17-20H,4-16H2,1-3H3,(H,26,31)(H2,25,27,28,29)
InChIKeyFEYRVJLKIOSNAT-UHFFFAOYSA-N
XLogP4.28
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-4-(cyclohexylamino)-N-(cyclohexylmethyl)pyrimidine-5-carboxamide
CID 144944262
2-(butylamino)-4-(cyclohexylamino)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide
CID 123248558
2-(butylamino)-4-(cyclohexylamino)-N-[[1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 144944254
N-(azetidin-3-yl)-4-(cyclohexylamino)-2-[2-(difluoromethoxy)ethylamino]pyrimidine-5-carboxamide
CID 137399146
2-(butylamino)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrimidine-5-carboxylic acid
CID 171483040
2-(butylamino)-N-[[6-(4-cyanophenyl)-3-pyridinyl]methyl]-4-(cyclohexylamino)pyrimidine-5-carboxamide
CID 144944316
ethyl 2-(butylamino)-4-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidine-5-carboxylate
CID 171483001
2-(2-aminopropylamino)-4-(cyclohexylamino)pyrimidine-5-carboxamide
CID 70981953
2-(butylamino)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-4-[(4-hydroxycyclohexyl)methylamino]pyrimidine-5-carboxamide
CID 123879476
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(quinolin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118439812
N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050
5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 166723883

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide (CID 144944253) is 2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide is CCCCNc1ncc(C(=O)NCC2CCN(C(C)C)CC2)c(NC2CCCCC2)n1.
What is the InChIKey of 2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is FEYRVJLKIOSNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O/c1-4-5-13-25-24-27-17-21(22(29-24)28-20-9-7-6-8-10-20)23(31)26-16-19-11-14-30(15-12-19)18(2)3/h17-20H,4-16H2,1-3H3,(H,26,31)(H2,25,27,28,29).
What are the key properties of 2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide?
2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 430.64 g/mol, XLogP of 4.28, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 144944253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).