4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol

C21H23F2N5OS — CID 72705277

IUPAC4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1csc(Nc2cc(C(F)(F)c3ccccc3)nc(NC3CCC(O)CC3)n2)n1
InChIInChI=1S/C21H23F2N5OS/c1-13-12-30-20(24-13)28-18-11-17(21(22,23)14-5-3-2-4-6-14)26-19(27-18)25-15-7-9-16(29)10-8-15/h2-6,11-12,15-16,29H,7-10H2,1H3,(H2,24,25,26,27,28)
InChIKeyDMTFSJQDFFSXHK-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.84
Rot. Bonds6

About 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 72705277) has the molecular formula C21H23F2N5OS and a molecular weight of 431.51 g/mol. Its IUPAC name is 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID72705277
Molecular FormulaC21H23F2N5OS
Molecular Weight431.51 g/mol
Exact Mass431.16
IUPAC Name4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1csc(Nc2cc(C(F)(F)c3ccccc3)nc(NC3CCC(O)CC3)n2)n1
InChIInChI=1S/C21H23F2N5OS/c1-13-12-30-20(24-13)28-18-11-17(21(22,23)14-5-3-2-4-6-14)26-19(27-18)25-15-7-9-16(29)10-8-15/h2-6,11-12,15-16,29H,7-10H2,1H3,(H2,24,25,26,27,28)
InChIKeyDMTFSJQDFFSXHK-UHFFFAOYSA-N
XLogP4.84
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol 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

2-N-(4-aminocyclohexyl)-6-[difluoro-(4-fluorophenyl)methyl]-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 87070990
4-[[4-[(6-bromo-1,3-benzothiazol-2-yl)methyl]-6-[difluoro-(4-fluorophenyl)methyl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 160988661
N-cyclopropyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62941085
2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid
CID 43332285
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine
CID 63540876
N-cyclopentyl-4-methyl-1,3-thiazol-2-amine;molecular hydrogen
CID 142956868
4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166329636
4-[[4-benzyl-6-[(6-propyl-1,3-benzothiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 87070553
4-[[4-benzyl-6-[[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46912380
4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide
CID 61044116
4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 83152279

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 72705277) is 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol is Cc1csc(Nc2cc(C(F)(F)c3ccccc3)nc(NC3CCC(O)CC3)n2)n1.
What is the InChIKey of 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is DMTFSJQDFFSXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5OS/c1-13-12-30-20(24-13)28-18-11-17(21(22,23)14-5-3-2-4-6-14)26-19(27-18)25-15-7-9-16(29)10-8-15/h2-6,11-12,15-16,29H,7-10H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 431.51 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[difluoro(phenyl)methyl]-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72705277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).