4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol

C26H38N6O — CID 167653105

IUPAC4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3ccnc(N4CCCCC4)c3)ncc2C2CCCCC2)CC1
InChIInChI=1S/C26H38N6O/c33-22-11-9-20(10-12-22)29-25-23(19-7-3-1-4-8-19)18-28-26(31-25)30-21-13-14-27-24(17-21)32-15-5-2-6-16-32/h13-14,17-20,22,33H,1-12,15-16H2,(H2,27,28,29,30,31)
InChIKeyQWDYBXISPXDJTO-UHFFFAOYSA-N
MW450.63 g/mol
LogP5.37
Rot. Bonds6

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

4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 167653105) has the molecular formula C26H38N6O and a molecular weight of 450.63 g/mol. Its IUPAC name is 4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID167653105
Molecular FormulaC26H38N6O
Molecular Weight450.63 g/mol
Exact Mass450.31
IUPAC Name4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3ccnc(N4CCCCC4)c3)ncc2C2CCCCC2)CC1
InChIInChI=1S/C26H38N6O/c33-22-11-9-20(10-12-22)29-25-23(19-7-3-1-4-8-19)18-28-26(31-25)30-21-13-14-27-24(17-21)32-15-5-2-6-16-32/h13-14,17-20,22,33H,1-12,15-16H2,(H2,27,28,29,30,31)
InChIKeyQWDYBXISPXDJTO-UHFFFAOYSA-N
XLogP5.37
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 153365816
4-[[2-(3-bromoanilino)-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166510464
4-[[5-[1-(3,3-dimethylcyclobutyl)piperidin-4-yl]-2-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167580196
4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167660551
4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 153365818
[4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 153365838
3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68622907
4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 169246456
5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine
CID 165178069
3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68624018
1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol
CID 70653946
N-[2-[2-[4-[[4-[(4-hydroxycyclohexyl)amino]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]phenyl]ethynyl]-4-pyridinyl]cyclohexanecarboxamide
CID 140928123

Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 167653105) is 4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Nc3ccnc(N4CCCCC4)c3)ncc2C2CCCCC2)CC1.
What is the InChIKey of 4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is QWDYBXISPXDJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O/c33-22-11-9-20(10-12-22)29-25-23(19-7-3-1-4-8-19)18-28-26(31-25)30-21-13-14-27-24(17-21)32-15-5-2-6-16-32/h13-14,17-20,22,33H,1-12,15-16H2,(H2,27,28,29,30,31).
What are the key properties of 4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 450.63 g/mol, XLogP of 5.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 167653105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).