[4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol

C23H32FN5O — CID 153365838

IUPAC[4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCN1CCC(c2cnc(Nc3ccc(F)cc3)nc2NC2CCC(CO)CC2)CC1
InChIInChI=1S/C23H32FN5O/c1-29-12-10-17(11-13-29)21-14-25-23(27-20-8-4-18(24)5-9-20)28-22(21)26-19-6-2-16(15-30)3-7-19/h4-5,8-9,14,16-17,19,30H,2-3,6-7,10-13,15H2,1H3,(H2,25,26,27,28)
InChIKeyOFQRRNIQBSQYCK-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.13
Rot. Bonds6

About [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol

[4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 153365838) has the molecular formula C23H32FN5O and a molecular weight of 413.54 g/mol. Its IUPAC name is [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID153365838
Molecular FormulaC23H32FN5O
Molecular Weight413.54 g/mol
Exact Mass413.26
IUPAC Name[4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCN1CCC(c2cnc(Nc3ccc(F)cc3)nc2NC2CCC(CO)CC2)CC1
InChIInChI=1S/C23H32FN5O/c1-29-12-10-17(11-13-29)21-14-25-23(27-20-8-4-18(24)5-9-20)28-22(21)26-19-6-2-16(15-30)3-7-19/h4-5,8-9,14,16-17,19,30H,2-3,6-7,10-13,15H2,1H3,(H2,25,26,27,28)
InChIKeyOFQRRNIQBSQYCK-UHFFFAOYSA-N
XLogP4.13
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 153365816
3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide
CID 68622908
4-[[2-(3-bromoanilino)-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166510464
4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167660551
4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167653105
[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 153365871
4-[[5-[1-(3,3-dimethylcyclobutyl)piperidin-4-yl]-2-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167580196
4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine
CID 70648003
4-[[4-(cyclopentylamino)-5-nitropyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 118734735
4-N-(5-amino-2-fluorophenyl)-2-N-(1-methylpyrazol-4-yl)-5-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 163280745
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
4-[[2-(butylamino)-5-[1-(cyclohexylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 153365818

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol (CID 153365838) is [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol is CN1CCC(c2cnc(Nc3ccc(F)cc3)nc2NC2CCC(CO)CC2)CC1.
What is the InChIKey of [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is OFQRRNIQBSQYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O/c1-29-12-10-17(11-13-29)21-14-25-23(27-20-8-4-18(24)5-9-20)28-22(21)26-19-6-2-16(15-30)3-7-19/h4-5,8-9,14,16-17,19,30H,2-3,6-7,10-13,15H2,1H3,(H2,25,26,27,28).
What are the key properties of [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
[4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 413.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 153365838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).