2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride

C14H13ClN2OS — CID 23723191

IUPAC2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride
SMILESCc1ccccc1-n1c(C)nc2ccsc2c1=O.Cl
InChIInChI=1S/C14H12N2OS.ClH/c1-9-5-3-4-6-12(9)16-10(2)15-11-7-8-18-13(11)14(16)17;/h3-8H,1-2H3;1H
InChIKeyDCASXZDMEMSDBZ-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.49
Rot. Bonds1

About 2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride

2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride (PubChem CID 23723191) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride
PubChem CID23723191
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride
SMILESCc1ccccc1-n1c(C)nc2ccsc2c1=O.Cl
InChIInChI=1S/C14H12N2OS.ClH/c1-9-5-3-4-6-12(9)16-10(2)15-11-7-8-18-13(11)14(16)17;/h3-8H,1-2H3;1H
InChIKeyDCASXZDMEMSDBZ-UHFFFAOYSA-N
XLogP3.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Thienyl)-4(3H)-quinazolinone
CID 135415499
3-(2-chlorophenyl)-2-methylthieno[3,2-d]pyrimidin-4(3H)-one
CID 901567
3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 793586
5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 873444
2-Ethylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8110222
2-(4-Oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 16279645
2-phenyl-6,7-dihydropyrrolo[1,2-a]thieno[3,2-d]pyrimidin-9(5H)-one
CID 900065
2-(N-ethyl-3-methylanilino)thieno[3,2-d][1,3]thiazin-4-one
CID 9551123
3-(2-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4(3H)-one
CID 901565
2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 901616
7-Phenyl-3-(o-tolyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 78320479
7-Phenyl-3-(P-tolyl)thieno[3,2-D]pyrimidin-4(3H)-one
CID 78320481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride (CID 23723191) is 2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride is Cc1ccccc1-n1c(C)nc2ccsc2c1=O.Cl.
What is the InChIKey of 2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The InChIKey is DCASXZDMEMSDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS.ClH/c1-9-5-3-4-6-12(9)16-10(2)15-11-7-8-18-13(11)14(16)17;/h3-8H,1-2H3;1H.
What are the key properties of 2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride?
2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride has a molecular weight of 292.79 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 23723191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).