2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine

C24H36N6 — CID 123945731

IUPAC2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine
SMILESCCCCNc1ncc(-c2ccc(C3CCNCC3)cn2)c(NC2CCCCC2)n1
InChIInChI=1S/C24H36N6/c1-2-3-13-26-24-28-17-21(23(30-24)29-20-7-5-4-6-8-20)22-10-9-19(16-27-22)18-11-14-25-15-12-18/h9-10,16-18,20,25H,2-8,11-15H2,1H3,(H2,26,28,29,30)
InChIKeyWDOLRXRCIJMMEL-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.96
Rot. Bonds8

About 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine

2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 123945731) has the molecular formula C24H36N6 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine
PubChem CID123945731
Molecular FormulaC24H36N6
Molecular Weight408.59 g/mol
Exact Mass408.30
IUPAC Name2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine
SMILESCCCCNc1ncc(-c2ccc(C3CCNCC3)cn2)c(NC2CCCCC2)n1
InChIInChI=1S/C24H36N6/c1-2-3-13-26-24-28-17-21(23(30-24)29-20-7-5-4-6-8-20)22-10-9-19(16-27-22)18-11-14-25-15-12-18/h9-10,16-18,20,25H,2-8,11-15H2,1H3,(H2,26,28,29,30)
InChIKeyWDOLRXRCIJMMEL-UHFFFAOYSA-N
XLogP4.96
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

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-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
N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 123729962
4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439784
4-[[2-(butylamino)-5-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439848
4-[[5-[5-(aminomethyl)-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 129131936
2-(butylamino)-4-(cyclohexylamino)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide
CID 123248558
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine
CID 118449962
4-[[5-(2-aminopyrimidin-4-yl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439924
4-[[2-(butylamino)-5-[5-[[(3S)-3-propan-2-ylpyrrolidin-1-yl]methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439921

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine (CID 123945731) is 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine is CCCCNc1ncc(-c2ccc(C3CCNCC3)cn2)c(NC2CCCCC2)n1.
What is the InChIKey of 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine?
The InChIKey is WDOLRXRCIJMMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6/c1-2-3-13-26-24-28-17-21(23(30-24)29-20-7-5-4-6-8-20)22-10-9-19(16-27-22)18-11-14-25-15-12-18/h9-10,16-18,20,25H,2-8,11-15H2,1H3,(H2,26,28,29,30).
What are the key properties of 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine?
2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 408.59 g/mol, XLogP of 4.96, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123945731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).