4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol

C20H24N4O2S — CID 158107691

IUPAC4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
SMILESCOc1cc(Cc2nc(NC3CCC(C)(O)CC3)c3sccc3n2)ccn1
InChIInChI=1S/C20H24N4O2S/c1-20(25)7-3-14(4-8-20)22-19-18-15(6-10-27-18)23-16(24-19)11-13-5-9-21-17(12-13)26-2/h5-6,9-10,12,14,25H,3-4,7-8,11H2,1-2H3,(H,22,23,24)
InChIKeyHALIRTHISXCFSI-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.79
Rot. Bonds5

About 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol

4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol (PubChem CID 158107691) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
PubChem CID158107691
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
SMILESCOc1cc(Cc2nc(NC3CCC(C)(O)CC3)c3sccc3n2)ccn1
InChIInChI=1S/C20H24N4O2S/c1-20(25)7-3-14(4-8-20)22-19-18-15(6-10-27-18)23-16(24-19)11-13-5-9-21-17(12-13)26-2/h5-6,9-10,12,14,25H,3-4,7-8,11H2,1-2H3,(H,22,23,24)
InChIKeyHALIRTHISXCFSI-UHFFFAOYSA-N
XLogP3.79
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol with MolForge

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Related Compounds

[5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]thiophen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 158089389
1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone
CID 159427998
cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 159738004
N,N-dimethyl-4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-amine;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;N-methyl-4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-amine;bis(4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-amine);4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol
CID 158026446
4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 158611356
4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 145256416
4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750428
N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine
CID 155595848
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 115880973
N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine
CID 114547998
4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 112750276
N-cyclopropylthieno[2,3-c]pyridin-7-amine
CID 130572470

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol (CID 158107691) is 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol is COc1cc(Cc2nc(NC3CCC(C)(O)CC3)c3sccc3n2)ccn1.
What is the InChIKey of 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol?
The InChIKey is HALIRTHISXCFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-20(25)7-3-14(4-8-20)22-19-18-15(6-10-27-18)23-16(24-19)11-13-5-9-21-17(12-13)26-2/h5-6,9-10,12,14,25H,3-4,7-8,11H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol?
4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 384.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 158107691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).