2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C14H13ClN2O2S — CID 62632524

IUPAC2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCC(Cl)c1nc2sc(C)c(-c3ccco3)c2c(=O)[nH]1
InChIInChI=1S/C14H13ClN2O2S/c1-3-8(15)12-16-13(18)11-10(9-5-4-6-19-9)7(2)20-14(11)17-12/h4-6,8H,3H2,1-2H3,(H,16,17,18)
InChIKeyWHSYKECCQZNZMC-UHFFFAOYSA-N
MW308.79 g/mol
LogP4.24
Rot. Bonds3

About 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 62632524) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID62632524
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCC(Cl)c1nc2sc(C)c(-c3ccco3)c2c(=O)[nH]1
InChIInChI=1S/C14H13ClN2O2S/c1-3-8(15)12-16-13(18)11-10(9-5-4-6-19-9)7(2)20-14(11)17-12/h4-6,8H,3H2,1-2H3,(H,16,17,18)
InChIKeyWHSYKECCQZNZMC-UHFFFAOYSA-N
XLogP4.24
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one 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

2-[(1R)-1-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7247300
2-[(1R)-1-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7165128
2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065001
5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868102
5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 104653877
10-(1-chloropropyl)-3,3-dimethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 79857556
2-(1-benzylsulfanylethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 18193453
2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62699465
2-(1-chloropropyl)-5-(5-fluoro-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 83110502
2-(1-chloroethyl)-6-(2-fluorophenyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 114832502
2-[(1R)-1-(4-benzylpiperazin-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 9269859
2-[(1S)-1-[4-[(2S)-butan-2-yl]anilino]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 25353918

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 62632524) is 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is CCC(Cl)c1nc2sc(C)c(-c3ccco3)c2c(=O)[nH]1.
What is the InChIKey of 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WHSYKECCQZNZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-3-8(15)12-16-13(18)11-10(9-5-4-6-19-9)7(2)20-14(11)17-12/h4-6,8H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 308.79 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 62632524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).