1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

C18H18N2O3S — CID 155977207

IUPAC1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3sccc3n(CC3CC3)c2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-23-14-6-4-13(5-7-14)11-20-17(21)16-15(8-9-24-16)19(18(20)22)10-12-2-3-12/h4-9,12H,2-3,10-11H2,1H3
InChIKeyVPKLINBVTFGHDJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.69
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 155977207) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID155977207
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3sccc3n(CC3CC3)c2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-23-14-6-4-13(5-7-14)11-20-17(21)16-15(8-9-24-16)19(18(20)22)10-12-2-3-12/h4-9,12H,2-3,10-11H2,1H3
InChIKeyVPKLINBVTFGHDJ-UHFFFAOYSA-N
XLogP2.69
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (CID 155977207) is 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)c3sccc3n(CC3CC3)c2=O)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is VPKLINBVTFGHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-23-14-6-4-13(5-7-14)11-20-17(21)16-15(8-9-24-16)19(18(20)22)10-12-2-3-12/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 342.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155977207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).