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

C19H23N5O2S — CID 135128181

IUPAC4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
SMILESCOc1cc(Nc2nc(NC3CCC(C)(O)CC3)c3sccc3n2)ccn1
InChIInChI=1S/C19H23N5O2S/c1-19(25)7-3-12(4-8-19)21-17-16-14(6-10-27-16)23-18(24-17)22-13-5-9-20-15(11-13)26-2/h5-6,9-12,25H,3-4,7-8H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyOFGLGXPVVWXUIB-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.94
Rot. Bonds5

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

4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol (PubChem CID 135128181) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
PubChem CID135128181
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
SMILESCOc1cc(Nc2nc(NC3CCC(C)(O)CC3)c3sccc3n2)ccn1
InChIInChI=1S/C19H23N5O2S/c1-19(25)7-3-12(4-8-19)21-17-16-14(6-10-27-16)23-18(24-17)22-13-5-9-20-15(11-13)26-2/h5-6,9-12,25H,3-4,7-8H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyOFGLGXPVVWXUIB-UHFFFAOYSA-N
XLogP3.94
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol (CID 135128181) is 4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol is COc1cc(Nc2nc(NC3CCC(C)(O)CC3)c3sccc3n2)ccn1.
What is the InChIKey of 4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol?
The InChIKey is OFGLGXPVVWXUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-19(25)7-3-12(4-8-19)21-17-16-14(6-10-27-16)23-18(24-17)22-13-5-9-20-15(11-13)26-2/h5-6,9-12,25H,3-4,7-8H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol?
4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 385.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 135128181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).