4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol

C17H19N3O2S — CID 9110509

IUPAC4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol
SMILESCc1sc2ncnc(N[C@H](C)[C@@H](O)c3ccc(O)cc3)c2c1C
InChIInChI=1S/C17H19N3O2S/c1-9-11(3)23-17-14(9)16(18-8-19-17)20-10(2)15(22)12-4-6-13(21)7-5-12/h4-8,10,15,21-22H,1-3H3,(H,18,19,20)/t10-,15-/m1/s1
InChIKeyGOIBAXSWGRXENC-MEBBXXQBSA-N
MW329.43 g/mol
LogP3.55
Rot. Bonds4

About 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol

4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol (PubChem CID 9110509) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol
PubChem CID9110509
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol
SMILESCc1sc2ncnc(N[C@H](C)[C@@H](O)c3ccc(O)cc3)c2c1C
InChIInChI=1S/C17H19N3O2S/c1-9-11(3)23-17-14(9)16(18-8-19-17)20-10(2)15(22)12-4-6-13(21)7-5-12/h4-8,10,15,21-22H,1-3H3,(H,18,19,20)/t10-,15-/m1/s1
InChIKeyGOIBAXSWGRXENC-MEBBXXQBSA-N
XLogP3.55
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1R,2S)-1-hydroxy-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propyl]phenol
CID 9110500
4-[1-hydroxy-2-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propyl]phenol
CID 17448457
4-[(1R,2R)-1-hydroxy-2-[[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propyl]phenol
CID 40939109
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 46213032
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 26036412
3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83180101
N-(1-cyclohexylethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63540281
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol?
The IUPAC name of 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol (CID 9110509) is 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol.
What is the SMILES notation for 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol?
The canonical SMILES for 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol is Cc1sc2ncnc(N[C@H](C)[C@@H](O)c3ccc(O)cc3)c2c1C.
What is the InChIKey of 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol?
The InChIKey is GOIBAXSWGRXENC-MEBBXXQBSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-9-11(3)23-17-14(9)16(18-8-19-17)20-10(2)15(22)12-4-6-13(21)7-5-12/h4-8,10,15,21-22H,1-3H3,(H,18,19,20)/t10-,15-/m1/s1.
What are the key properties of 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol?
4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol has a molecular weight of 329.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol is sourced from PubChem (CID 9110509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).