3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

C19H15N3OS — CID 21009748

IUPAC3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1sc2ncnc(Nc3cccc(O)c3)c2c1-c1ccccc1
InChIInChI=1S/C19H15N3OS/c1-12-16(13-6-3-2-4-7-13)17-18(20-11-21-19(17)24-12)22-14-8-5-9-15(23)10-14/h2-11,23H,1H3,(H,20,21,22)
InChIKeyGINBNQUQCZWIRN-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.12
Rot. Bonds3

About 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (PubChem CID 21009748) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
PubChem CID21009748
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1sc2ncnc(Nc3cccc(O)c3)c2c1-c1ccccc1
InChIInChI=1S/C19H15N3OS/c1-12-16(13-6-3-2-4-7-13)17-18(20-11-21-19(17)24-12)22-14-8-5-9-15(23)10-14/h2-11,23H,1H3,(H,20,21,22)
InChIKeyGINBNQUQCZWIRN-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

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Related Compounds

propan-2-yl 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21012627
N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 18593654
5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010083
3-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile
CID 21010498
2-[4-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 21009471
N-[3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 21011874
(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 735300
6-methyl-N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 1193255
5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010171
2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011484
3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile
CID 21010497
5-(3,4-dimethylphenyl)-6-methyl-N-(3-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28505317

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (CID 21009748) is 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is Cc1sc2ncnc(Nc3cccc(O)c3)c2c1-c1ccccc1.
What is the InChIKey of 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is GINBNQUQCZWIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-16(13-6-3-2-4-7-13)17-18(20-11-21-19(17)24-12)22-14-8-5-9-15(23)10-14/h2-11,23H,1H3,(H,20,21,22).
What are the key properties of 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
3-[(6-methyl-5-phenylthieno[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-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 21009748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).