1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

C16H23N3OS — CID 65118696

IUPAC1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCc1sc2ncnc(NCC3(O)CCC(C)CC3)c2c1C
InChIInChI=1S/C16H23N3OS/c1-10-4-6-16(20,7-5-10)8-17-14-13-11(2)12(3)21-15(13)19-9-18-14/h9-10,20H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyKVJPFEXTXCMBKA-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.66
Rot. Bonds3

About 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65118696) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65118696
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCc1sc2ncnc(NCC3(O)CCC(C)CC3)c2c1C
InChIInChI=1S/C16H23N3OS/c1-10-4-6-16(20,7-5-10)8-17-14-13-11(2)12(3)21-15(13)19-9-18-14/h9-10,20H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyKVJPFEXTXCMBKA-UHFFFAOYSA-N
XLogP3.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 107265827
1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915307
2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114749444
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915305
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
[1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
CID 115731858
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60706733
1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115492
N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 712429

Frequently Asked Questions

What is the IUPAC name of 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65118696) is 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is Cc1sc2ncnc(NCC3(O)CCC(C)CC3)c2c1C.
What is the InChIKey of 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is KVJPFEXTXCMBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10-4-6-16(20,7-5-10)8-17-14-13-11(2)12(3)21-15(13)19-9-18-14/h9-10,20H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 305.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65118696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).