4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol

C23H29N5OS — CID 58974671

IUPAC4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(C)c(CNC4CCC(O)CC4)s3)n2)c1
InChIInChI=1S/C23H29N5OS/c1-14-10-15(2)12-18(11-14)27-23-24-9-8-20(28-23)22-26-16(3)21(30-22)13-25-17-4-6-19(29)7-5-17/h8-12,17,19,25,29H,4-7,13H2,1-3H3,(H,24,27,28)
InChIKeyHGFMFFODJQCIHE-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.66
Rot. Bonds6

About 4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol

4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol (PubChem CID 58974671) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is 4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol
PubChem CID58974671
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(C)c(CNC4CCC(O)CC4)s3)n2)c1
InChIInChI=1S/C23H29N5OS/c1-14-10-15(2)12-18(11-14)27-23-24-9-8-20(28-23)22-26-16(3)21(30-22)13-25-17-4-6-19(29)7-5-17/h8-12,17,19,25,29H,4-7,13H2,1-3H3,(H,24,27,28)
InChIKeyHGFMFFODJQCIHE-UHFFFAOYSA-N
XLogP4.66
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25113172
4-[[4-Benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46913758
4-[[4-Benzyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 73349574
(3-Aminomethyl-phenyl)-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 10042059
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
(3-Aminomethyl-phenyl)-[4-(2-ethylamino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 11724828
N-(3,5-dimethylphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9856983
(2-(2-(3,5-Dimethylphenylamino)pyrimidin-4-yl)thiazol-5-yl)methanol
CID 11324412
1-(3-Methylphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
CID 24823826
1-(4-Methylphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
CID 24824117
2-[[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 44530269
2-[[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530273

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol (CID 58974671) is 4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol is Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CNC4CCC(O)CC4)s3)n2)c1.
What is the InChIKey of 4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol?
The InChIKey is HGFMFFODJQCIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-14-10-15(2)12-18(11-14)27-23-24-9-8-20(28-23)22-26-16(3)21(30-22)13-25-17-4-6-19(29)7-5-17/h8-12,17,19,25,29H,4-7,13H2,1-3H3,(H,24,27,28).
What are the key properties of 4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol?
4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol has a molecular weight of 423.59 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 58974671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).