4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol

C26H45N5O — CID 153365818

IUPAC4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCCNc1ncc(C2CCN(CC3CCCCC3)CC2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C26H45N5O/c1-2-3-15-27-26-28-18-24(25(30-26)29-22-9-11-23(32)12-10-22)21-13-16-31(17-14-21)19-20-7-5-4-6-8-20/h18,20-23,32H,2-17,19H2,1H3,(H2,27,28,29,30)
InChIKeyUXOSHYOOCQIVMO-UHFFFAOYSA-N
MW443.68 g/mol
LogP5.16
Rot. Bonds9

About 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 153365818) has the molecular formula C26H45N5O and a molecular weight of 443.68 g/mol. Its IUPAC name is 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID153365818
Molecular FormulaC26H45N5O
Molecular Weight443.68 g/mol
Exact Mass443.36
IUPAC Name4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCCNc1ncc(C2CCN(CC3CCCCC3)CC2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C26H45N5O/c1-2-3-15-27-26-28-18-24(25(30-26)29-22-9-11-23(32)12-10-22)21-13-16-31(17-14-21)19-20-7-5-4-6-8-20/h18,20-23,32H,2-17,19H2,1H3,(H2,27,28,29,30)
InChIKeyUXOSHYOOCQIVMO-UHFFFAOYSA-N
XLogP5.16
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.68
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[2-(3-bromoanilino)-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166510464
2-(butylamino)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-4-[(4-hydroxycyclohexyl)methylamino]pyrimidine-5-carboxamide
CID 123879476
2-N-butyl-8-cyclohexyl-5-N-(1-methylpiperidin-4-yl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 137419886
2-(butylamino)-4-(cyclohexylamino)-N-(cyclohexylmethyl)pyrimidine-5-carboxamide
CID 144944262
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-(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
4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 153365816
4-[[5-[5-(aminomethyl)-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 129131936
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
2-(butylamino)-4-(cyclohexylamino)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
CID 144944253
4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167653105

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 153365818) is 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol is CCCCNc1ncc(C2CCN(CC3CCCCC3)CC2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is UXOSHYOOCQIVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N5O/c1-2-3-15-27-26-28-18-24(25(30-26)29-22-9-11-23(32)12-10-22)21-13-16-31(17-14-21)19-20-7-5-4-6-8-20/h18,20-23,32H,2-17,19H2,1H3,(H2,27,28,29,30).
What are the key properties of 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 443.68 g/mol, XLogP of 5.16, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 153365818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).