4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C27H38FN5O — CID 153365816

IUPAC4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3ccc(F)cc3)ncc2C2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C27H38FN5O/c28-20-6-8-22(9-7-20)31-27-29-18-25(26(32-27)30-21-10-12-24(34)13-11-21)19-14-16-33(17-15-19)23-4-2-1-3-5-23/h6-9,18-19,21,23-24,34H,1-5,10-17H2,(H2,29,30,31,32)
InChIKeyGTLSDBQDJVORDW-UHFFFAOYSA-N
MW467.63 g/mol
LogP5.59
Rot. Bonds6

About 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 153365816) has the molecular formula C27H38FN5O and a molecular weight of 467.63 g/mol. Its IUPAC name is 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID153365816
Molecular FormulaC27H38FN5O
Molecular Weight467.63 g/mol
Exact Mass467.31
IUPAC Name4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3ccc(F)cc3)ncc2C2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C27H38FN5O/c28-20-6-8-22(9-7-20)31-27-29-18-25(26(32-27)30-21-10-12-24(34)13-11-21)19-14-16-33(17-15-19)23-4-2-1-3-5-23/h6-9,18-19,21,23-24,34H,1-5,10-17H2,(H2,29,30,31,32)
InChIKeyGTLSDBQDJVORDW-UHFFFAOYSA-N
XLogP5.59
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.63
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 153365838
4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167653105
4-[[5-[1-(3,3-dimethylcyclobutyl)piperidin-4-yl]-2-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167580196
4-[[2-(3-bromoanilino)-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166510464
[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 153365871
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 153365818
4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167660551
3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide
CID 68622908
5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942291
5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine
CID 165178069
4-(cyclohexylamino)-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 137399083

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 153365816) is 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Nc3ccc(F)cc3)ncc2C2CCN(C3CCCCC3)CC2)CC1.
What is the InChIKey of 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is GTLSDBQDJVORDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38FN5O/c28-20-6-8-22(9-7-20)31-27-29-18-25(26(32-27)30-21-10-12-24(34)13-11-21)19-14-16-33(17-15-19)23-4-2-1-3-5-23/h6-9,18-19,21,23-24,34H,1-5,10-17H2,(H2,29,30,31,32).
What are the key properties of 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 467.63 g/mol, XLogP of 5.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 153365816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).