2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C13H12ClN3S — CID 83190443

IUPAC2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2cccc(Cl)c2)nc2c1CSC2
InChIInChI=1S/C13H12ClN3S/c1-15-13-10-6-18-7-11(10)16-12(17-13)8-3-2-4-9(14)5-8/h2-5H,6-7H2,1H3,(H,15,16,17)
InChIKeyNPQPMMKBGODTEG-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.59
Rot. Bonds2

About 2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190443) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190443
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2cccc(Cl)c2)nc2c1CSC2
InChIInChI=1S/C13H12ClN3S/c1-15-13-10-6-18-7-11(10)16-12(17-13)8-3-2-4-9(14)5-8/h2-5H,6-7H2,1H3,(H,15,16,17)
InChIKeyNPQPMMKBGODTEG-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190443) is 2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(-c2cccc(Cl)c2)nc2c1CSC2.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is NPQPMMKBGODTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-15-13-10-6-18-7-11(10)16-12(17-13)8-3-2-4-9(14)5-8/h2-5H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 277.78 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).