[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate

C18H12N4O3S — CID 118690816

IUPAC[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate
SMILESNC(=O)Oc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1
InChIInChI=1S/C18H12N4O3S/c19-18(24)25-14-9-10(4-6-20-14)15-16-13(5-7-26-16)21-17(22-15)11-2-1-3-12(23)8-11/h1-9,23H,(H2,19,24)
InChIKeyWAHBDHOHCTYNLJ-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.58
Rot. Bonds3

About [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate

[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate (PubChem CID 118690816) has the molecular formula C18H12N4O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate
PubChem CID118690816
Molecular FormulaC18H12N4O3S
Molecular Weight364.39 g/mol
Exact Mass364.06
IUPAC Name[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate
SMILESNC(=O)Oc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1
InChIInChI=1S/C18H12N4O3S/c19-18(24)25-14-9-10(4-6-20-14)15-16-13(5-7-26-16)21-17(22-15)11-2-1-3-12(23)8-11/h1-9,23H,(H2,19,24)
InChIKeyWAHBDHOHCTYNLJ-UHFFFAOYSA-N
XLogP3.58
TPSA111.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate 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

N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164615715
N4-[3-(dimethylamino)propyl]-6-(6-methoxy-3-pyridyl)-N2-methyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 76325260
4-(6-Methoxy-3-pyridyl)-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]thieno[3,2-d]pyrimidine
CID 118720397
2-[(3,5-Dimethylphenyl)sulfanylmethyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720400
2-[(2,4-Difluorophenyl)sulfanylmethyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720399
N-(4-methoxyphenyl)-N-methyl-6-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 44583629
4-[[2-[(2-Methoxy-4-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
CID 135128181
2-[6-(6-Methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
CID 56669080
N-benzyl-4-pyridin-4-yloxythieno[3,2-d]pyrimidin-2-amine
CID 49786236
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 163202306
3-[4-(2-Fluoro-pyridin-4-yl)-thieno[3,2-d]pyrimidin-2-yl]-phenol
CID 24855050
5-[6-(2-Fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 25108885

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate?
The IUPAC name of [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate (CID 118690816) is [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate.
What is the SMILES notation for [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate?
The canonical SMILES for [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate is NC(=O)Oc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1.
What is the InChIKey of [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate?
The InChIKey is WAHBDHOHCTYNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3S/c19-18(24)25-14-9-10(4-6-20-14)15-16-13(5-7-26-16)21-17(22-15)11-2-1-3-12(23)8-11/h1-9,23H,(H2,19,24).
What are the key properties of [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate?
[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate has a molecular weight of 364.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate is sourced from PubChem (CID 118690816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).