1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one

C14H12ClN3OS — CID 175958943

IUPAC1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2Cl)c2cc(C)sc12
InChIInChI=1S/C14H12ClN3OS/c1-8-7-11-12(20-8)13(16-2)17-14(19)18(11)10-6-4-3-5-9(10)15/h3-7H,1-2H3,(H,16,17,19)
InChIKeyGJAGCALKLUFCNY-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.45
Rot. Bonds2

About 1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one

1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one (PubChem CID 175958943) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one
PubChem CID175958943
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2Cl)c2cc(C)sc12
InChIInChI=1S/C14H12ClN3OS/c1-8-7-11-12(20-8)13(16-2)17-14(19)18(11)10-6-4-3-5-9(10)15/h3-7H,1-2H3,(H,16,17,19)
InChIKeyGJAGCALKLUFCNY-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one (CID 175958943) is 1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one is CNc1nc(=O)n(-c2ccccc2Cl)c2cc(C)sc12.
What is the InChIKey of 1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one?
The InChIKey is GJAGCALKLUFCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-8-7-11-12(20-8)13(16-2)17-14(19)18(11)10-6-4-3-5-9(10)15/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of 1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one?
1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one has a molecular weight of 305.79 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 175958943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).