2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol

C24H30N4OS — CID 24885451

IUPAC2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1ccc(-c2csc3ncnc(N4CCC(NC5CCCCC5O)CC4)c23)cc1
InChIInChI=1S/C24H30N4OS/c1-16-6-8-17(9-7-16)19-14-30-24-22(19)23(25-15-26-24)28-12-10-18(11-13-28)27-20-4-2-3-5-21(20)29/h6-9,14-15,18,20-21,27,29H,2-5,10-13H2,1H3
InChIKeyDCSYMNXHBSHWGF-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.53
Rot. Bonds4

About 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol

2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 24885451) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID24885451
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC Name2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1ccc(-c2csc3ncnc(N4CCC(NC5CCCCC5O)CC4)c23)cc1
InChIInChI=1S/C24H30N4OS/c1-16-6-8-17(9-7-16)19-14-30-24-22(19)23(25-15-26-24)28-12-10-18(11-13-28)27-20-4-2-3-5-21(20)29/h6-9,14-15,18,20-21,27,29H,2-5,10-13H2,1H3
InChIKeyDCSYMNXHBSHWGF-UHFFFAOYSA-N
XLogP4.53
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

ethyl 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 9280165
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide
CID 46600118
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 9113223
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 16553323
1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 2457611
5-(4-methylphenyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95576399
3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 55885848
5-(4-methylphenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 53239860
[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 94381226

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol (CID 24885451) is 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol is Cc1ccc(-c2csc3ncnc(N4CCC(NC5CCCCC5O)CC4)c23)cc1.
What is the InChIKey of 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is DCSYMNXHBSHWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-16-6-8-17(9-7-16)19-14-30-24-22(19)23(25-15-26-24)28-12-10-18(11-13-28)27-20-4-2-3-5-21(20)29/h6-9,14-15,18,20-21,27,29H,2-5,10-13H2,1H3.
What are the key properties of 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 422.60 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 24885451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).