2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane

C28H47N5 — CID 144944196

IUPAC2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane
SMILESCC.CCCCNc1ncc(-c2ccc(C(CCC)CCC)cn2)c(NC2CCCCC2)n1
InChIInChI=1S/C26H41N5.C2H6/c1-4-7-17-27-26-29-19-23(25(31-26)30-22-13-9-8-10-14-22)24-16-15-21(18-28-24)20(11-5-2)12-6-3;1-2/h15-16,18-20,22H,4-14,17H2,1-3H3,(H2,27,29,30,31);1-2H3
InChIKeyOHBDVYLUIOMCKQ-UHFFFAOYSA-N
MW453.72 g/mol
LogP8.21
Rot. Bonds12

About 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane

2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane (PubChem CID 144944196) has the molecular formula C28H47N5 and a molecular weight of 453.72 g/mol. Its IUPAC name is 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane
PubChem CID144944196
Molecular FormulaC28H47N5
Molecular Weight453.72 g/mol
Exact Mass453.38
IUPAC Name2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane
SMILESCC.CCCCNc1ncc(-c2ccc(C(CCC)CCC)cn2)c(NC2CCCCC2)n1
InChIInChI=1S/C26H41N5.C2H6/c1-4-7-17-27-26-29-19-23(25(31-26)30-22-13-9-8-10-14-22)24-16-15-21(18-28-24)20(11-5-2)12-6-3;1-2/h15-16,18-20,22H,4-14,17H2,1-3H3,(H2,27,29,30,31);1-2H3
InChIKeyOHBDVYLUIOMCKQ-UHFFFAOYSA-N
XLogP8.21
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.72
LogP ≤ 58.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane 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
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
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
2-N-butyl-4-N-cyclohexyl-5-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyrimidine-2,4-diamine
CID 118449962
4-[[2-(butylamino)-5-[5-[[(3S)-3-propan-2-ylpyrrolidin-1-yl]methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439921
4-[[5-(2-aminopyrimidin-4-yl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439924
4-[[2-(butylamino)-5-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439848
tert-butyl 4-[[6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperidine-1-carboxylate
CID 118439946
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane?
The IUPAC name of 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane (CID 144944196) is 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane?
The canonical SMILES for 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane is CC.CCCCNc1ncc(-c2ccc(C(CCC)CCC)cn2)c(NC2CCCCC2)n1.
What is the InChIKey of 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane?
The InChIKey is OHBDVYLUIOMCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5.C2H6/c1-4-7-17-27-26-29-19-23(25(31-26)30-22-13-9-8-10-14-22)24-16-15-21(18-28-24)20(11-5-2)12-6-3;1-2/h15-16,18-20,22H,4-14,17H2,1-3H3,(H2,27,29,30,31);1-2H3.
What are the key properties of 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane?
2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane has a molecular weight of 453.72 g/mol, XLogP of 8.21, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 144944196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).