3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol

C19H15N3OS — CID 733564

IUPAC3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
SMILESCc1ccc(-c2csc3ncnc(Nc4cccc(O)c4)c23)cc1
InChIInChI=1S/C19H15N3OS/c1-12-5-7-13(8-6-12)16-10-24-19-17(16)18(20-11-21-19)22-14-3-2-4-15(23)9-14/h2-11,23H,1H3,(H,20,21,22)
InChIKeyVWNPXBARZGHSAM-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.12
Rot. Bonds3

About 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol

3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol (PubChem CID 733564) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
PubChem CID733564
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
SMILESCc1ccc(-c2csc3ncnc(Nc4cccc(O)c4)c23)cc1
InChIInChI=1S/C19H15N3OS/c1-12-5-7-13(8-6-12)16-10-24-19-17(16)18(20-11-21-19)22-14-3-2-4-15(23)9-14/h2-11,23H,1H3,(H,20,21,22)
InChIKeyVWNPXBARZGHSAM-UHFFFAOYSA-N
XLogP5.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol with MolForge

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Related Compounds

Thienopyrimidine deriv. 14
CID 6539991
Thienopyrimidine deriv. 90
CID 6540023
4-{[(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol
CID 154872580
3-(6-Methyl-thieno[2,3-d]pyrimidin-4-ylamino)-phenol
CID 16370445
N-[3-({5-phenylthieno[2,3-d]pyrimidin-4-yl}oxy)phenyl]acetamide
CID 4582216
N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2462466
4-[2-[(5-Methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 23632056
3-(2-(2-Aminopyrimidin-4-yl)-3-methylbenzo[b]thiophen-5-ylamino)phenol
CID 24877013
4-[(2-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 5104861
3-{[(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol
CID 165368440
N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 705975
N-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
CID 723159

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol (CID 733564) is 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol is Cc1ccc(-c2csc3ncnc(Nc4cccc(O)c4)c23)cc1.
What is the InChIKey of 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol?
The InChIKey is VWNPXBARZGHSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-5-7-13(8-6-12)16-10-24-19-17(16)18(20-11-21-19)22-14-3-2-4-15(23)9-14/h2-11,23H,1H3,(H,20,21,22).
What are the key properties of 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol?
3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol has a molecular weight of 333.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 733564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).