4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H19N5O2S — CID 121455905

IUPAC4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2ncccn2)nc2c1CN(c1ccc(S(C)(=O)=O)cc1)CC2
InChIInChI=1S/C19H19N5O2S/c1-13-16-12-24(14-4-6-15(7-5-14)27(2,25)26)11-8-17(16)23-19(22-13)18-20-9-3-10-21-18/h3-7,9-10H,8,11-12H2,1-2H3
InChIKeyIAEWNTFWNGTVJG-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.21
Rot. Bonds3

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

4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455905) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455905
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2ncccn2)nc2c1CN(c1ccc(S(C)(=O)=O)cc1)CC2
InChIInChI=1S/C19H19N5O2S/c1-13-16-12-24(14-4-6-15(7-5-14)27(2,25)26)11-8-17(16)23-19(22-13)18-20-9-3-10-21-18/h3-7,9-10H,8,11-12H2,1-2H3
InChIKeyIAEWNTFWNGTVJG-UHFFFAOYSA-N
XLogP2.21
TPSA88.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-(4-methylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524488
5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 133452613
4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 155106997
3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one
CID 121456160
N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine
CID 163344050
1-(3-methylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171998032
1-(3,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451865
4-(4-methylsulfonylphenyl)piperazine-1-carboxylic acid
CID 141113101
6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669668
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
4-(4-methylsulfonylphenyl)piperazine-1-carbaldehyde
CID 142680659
2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
CID 175648463

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455905) is 4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nc(-c2ncccn2)nc2c1CN(c1ccc(S(C)(=O)=O)cc1)CC2.
What is the InChIKey of 4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IAEWNTFWNGTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-13-16-12-24(14-4-6-15(7-5-14)27(2,25)26)11-8-17(16)23-19(22-13)18-20-9-3-10-21-18/h3-7,9-10H,8,11-12H2,1-2H3.
What are the key properties of 4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 381.46 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylsulfonylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).