6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C15H15Cl2N3O2S — CID 24928892

IUPAC6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2c(n1)CCN(Cc1c(Cl)cccc1Cl)C2
InChIInChI=1S/C15H15Cl2N3O2S/c1-23(21,22)15-18-7-10-8-20(6-5-14(10)19-15)9-11-12(16)3-2-4-13(11)17/h2-4,7H,5-6,8-9H2,1H3
InChIKeyVGYDAZYHWPTMPK-UHFFFAOYSA-N
MW372.28 g/mol
LogP2.75
Rot. Bonds3

About 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928892) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928892
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC Name6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2c(n1)CCN(Cc1c(Cl)cccc1Cl)C2
InChIInChI=1S/C15H15Cl2N3O2S/c1-23(21,22)15-18-7-10-8-20(6-5-14(10)19-15)9-11-12(16)3-2-4-13(11)17/h2-4,7H,5-6,8-9H2,1H3
InChIKeyVGYDAZYHWPTMPK-UHFFFAOYSA-N
XLogP2.75
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 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-methylsulfonyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928199
3-methyl-4-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-phenyl-1,2-oxazole
CID 24912950
6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913097
2-methylsulfonyl-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908837
2-methylsulfonyl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915302
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
[5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
CID 24908648
N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
CID 24917716
2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine
CID 24917128
6-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910808
3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-phenyl-1,2-oxazole
CID 24916142
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912614

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928892) is 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CS(=O)(=O)c1ncc2c(n1)CCN(Cc1c(Cl)cccc1Cl)C2.
What is the InChIKey of 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VGYDAZYHWPTMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-23(21,22)15-18-7-10-8-20(6-5-14(10)19-15)9-11-12(16)3-2-4-13(11)17/h2-4,7H,5-6,8-9H2,1H3.
What are the key properties of 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 372.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).