2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine

C24H38N8 — CID 118449962

IUPAC2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine
SMILESCCCCNc1ncc(-c2cc(NC3CCN(C)CC3)ncn2)c(NC2CCCCC2)n1
InChIInChI=1S/C24H38N8/c1-3-4-12-25-24-26-16-20(23(31-24)30-18-8-6-5-7-9-18)21-15-22(28-17-27-21)29-19-10-13-32(2)14-11-19/h15-19H,3-14H2,1-2H3,(H,27,28,29)(H2,25,26,30,31)
InChIKeyCSZCZJPYVXANGE-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.40
Rot. Bonds9

About 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine

2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 118449962) has the molecular formula C24H38N8 and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine
PubChem CID118449962
Molecular FormulaC24H38N8
Molecular Weight438.62 g/mol
Exact Mass438.32
IUPAC Name2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine
SMILESCCCCNc1ncc(-c2cc(NC3CCN(C)CC3)ncn2)c(NC2CCCCC2)n1
InChIInChI=1S/C24H38N8/c1-3-4-12-25-24-26-16-20(23(31-24)30-18-8-6-5-7-9-18)21-15-22(28-17-27-21)29-19-10-13-32(2)14-11-19/h15-19H,3-14H2,1-2H3,(H,27,28,29)(H2,25,26,30,31)
InChIKeyCSZCZJPYVXANGE-UHFFFAOYSA-N
XLogP4.40
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-butyl-8-cyclohexyl-5-N-(1-methylpiperidin-4-yl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 137419886
2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane
CID 144944196
2-N-butyl-5-[5-[(tert-butylamino)methyl]-2-pyridinyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 123494543
3-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]propan-1-ol
CID 144944295
2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 123945731
4-[[2-(butylamino)-5-[6-(cyclohex-2-en-4-yn-1-ylideneamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 123767866
5-bromo-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80780154
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-[[5-(2-aminopyrimidin-4-yl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439924
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
4-[[5-[5-(aminomethyl)-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 129131936

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine (CID 118449962) is 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine is CCCCNc1ncc(-c2cc(NC3CCN(C)CC3)ncn2)c(NC2CCCCC2)n1.
What is the InChIKey of 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is CSZCZJPYVXANGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N8/c1-3-4-12-25-24-26-16-20(23(31-24)30-18-8-6-5-7-9-18)21-15-22(28-17-27-21)29-19-10-13-32(2)14-11-19/h15-19H,3-14H2,1-2H3,(H,27,28,29)(H2,25,26,30,31).
What are the key properties of 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine?
2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 438.62 g/mol, XLogP of 4.40, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 118449962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).