N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C23H32N6O — CID 123729962

IUPACN-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESCCCCNc1ncc(-c2ccc(NC(=O)C3CC3)cn2)c(NC2CCCCC2)n1
InChIInChI=1S/C23H32N6O/c1-2-3-13-24-23-26-15-19(21(29-23)27-17-7-5-4-6-8-17)20-12-11-18(14-25-20)28-22(30)16-9-10-16/h11-12,14-17H,2-10,13H2,1H3,(H,28,30)(H2,24,26,27,29)
InChIKeyUXIIZCFQNJZSID-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.84
Rot. Bonds9

About N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 123729962) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID123729962
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC NameN-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESCCCCNc1ncc(-c2ccc(NC(=O)C3CC3)cn2)c(NC2CCCCC2)n1
InChIInChI=1S/C23H32N6O/c1-2-3-13-24-23-26-15-19(21(29-23)27-17-7-5-4-6-8-17)20-12-11-18(14-25-20)28-22(30)16-9-10-16/h11-12,14-17H,2-10,13H2,1H3,(H,28,30)(H2,24,26,27,29)
InChIKeyUXIIZCFQNJZSID-UHFFFAOYSA-N
XLogP4.84
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.84
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-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane
CID 144944196
3-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]propan-1-ol
CID 144944295
2-N-butyl-5-[5-[(tert-butylamino)methyl]-2-pyridinyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 123494543
2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 123945731
4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439784
4-[[5-[5-(aminomethyl)-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 129131936
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
tert-butyl 4-[[6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperidine-1-carboxylate
CID 118439946
2-(butylamino)-4-(cyclohexylamino)-N-(cyclohexylmethyl)pyrimidine-5-carboxamide
CID 144944262
4-[[5-(2-aminopyrimidin-4-yl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439924
2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine
CID 118449962
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 123729962) is N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is CCCCNc1ncc(-c2ccc(NC(=O)C3CC3)cn2)c(NC2CCCCC2)n1.
What is the InChIKey of N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UXIIZCFQNJZSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-2-3-13-24-23-26-15-19(21(29-23)27-17-7-5-4-6-8-17)20-12-11-18(14-25-20)28-22(30)16-9-10-16/h11-12,14-17H,2-10,13H2,1H3,(H,28,30)(H2,24,26,27,29).
What are the key properties of N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.84, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 123729962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).