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

C12H8ClN3OS — CID 680838

IUPAC3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one
SMILESNn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O
InChIInChI=1S/C12H8ClN3OS/c13-8-3-1-7(2-4-8)9-5-18-11-10(9)12(17)16(14)6-15-11/h1-6H,14H2
InChIKeyIYIFIWRAGMFAIN-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.49
Rot. Bonds1

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

3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 680838) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID680838
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one
SMILESNn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O
InChIInChI=1S/C12H8ClN3OS/c13-8-3-1-7(2-4-8)9-5-18-11-10(9)12(17)16(14)6-15-11/h1-6H,14H2
InChIKeyIYIFIWRAGMFAIN-UHFFFAOYSA-N
XLogP2.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-methyl-5-phenyl-
CID 206184
3-(4-chlorophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one
CID 899011
5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
CID 711220
5-(4-Ethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 724921
3-Amino-2-ethyl-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-4-one
CID 723149
3-allyl-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 731336
3-Amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one
CID 916151
3-amino-2-(isopropylsulfanyl)-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 848953
(3-Methyl-4-oxo-5-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid hydrazide
CID 44391432

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one (CID 680838) is 3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one is Nn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O.
What is the InChIKey of 3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is IYIFIWRAGMFAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c13-8-3-1-7(2-4-8)9-5-18-11-10(9)12(17)16(14)6-15-11/h1-6H,14H2.
What are the key properties of 3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one?
3-amino-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 277.74 g/mol, XLogP of 2.49, 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-chlorophenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 680838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).