3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one

C13H10ClN3OS — CID 159705168

IUPAC3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc(-c2csc3ncn(N)c(=O)c23)ccc1Cl
InChIInChI=1S/C13H10ClN3OS/c1-7-4-8(2-3-10(7)14)9-5-19-12-11(9)13(18)17(15)6-16-12/h2-6H,15H2,1H3
InChIKeyIPESJINSHATPNV-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.80
Rot. Bonds1

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

3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 159705168) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID159705168
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc(-c2csc3ncn(N)c(=O)c23)ccc1Cl
InChIInChI=1S/C13H10ClN3OS/c1-7-4-8(2-3-10(7)14)9-5-19-12-11(9)13(18)17(15)6-16-12/h2-6H,15H2,1H3
InChIKeyIPESJINSHATPNV-UHFFFAOYSA-N
XLogP2.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chloro-3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28899617
3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 853231
5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one
CID 2792004
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 40859825
5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one
CID 732028
2-[5-(4-chloro-3-methylphenyl)-2-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898789
N-(2,5-dichlorophenyl)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 44639196
5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 16578954
methyl (2R)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate
CID 1167222
methyl (2S)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate
CID 1167220
3-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7629149
butan-2-yl 2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate
CID 4104136

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one (CID 159705168) is 3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one is Cc1cc(-c2csc3ncn(N)c(=O)c23)ccc1Cl.
What is the InChIKey of 3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is IPESJINSHATPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-7-4-8(2-3-10(7)14)9-5-19-12-11(9)13(18)17(15)6-16-12/h2-6H,15H2,1H3.
What are the key properties of 3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 291.76 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 159705168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).