2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C21H29N5O2S — CID 127251864

IUPAC2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CN(C)CC2
InChIInChI=1S/C21H29N5O2S/c1-14-5-6-17(11-15(14)2)29(27,28)26-10-7-16(12-26)20-23-19-8-9-25(4)13-18(19)21(22-3)24-20/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,22,23,24)
InChIKeyINLGVKAOBQLLAM-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.30
Rot. Bonds4

About 2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 127251864) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID127251864
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC Name2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CN(C)CC2
InChIInChI=1S/C21H29N5O2S/c1-14-5-6-17(11-15(14)2)29(27,28)26-10-7-16(12-26)20-23-19-8-9-25(4)13-18(19)21(22-3)24-20/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,22,23,24)
InChIKeyINLGVKAOBQLLAM-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 127251879
1-[2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 127251819
2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92624840
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 110262359
2-[(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 124943338
1-[(2R)-2-[7-(3,4-dimethylphenyl)sulfonyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92622985
2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92624702
7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 110265937
1-[2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 127251951
N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92625534
3-(3-chlorophenyl)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92624743
4,6-dimethyl-2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]pyrimidine
CID 175652484

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 127251864) is 2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CNc1nc(C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CN(C)CC2.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is INLGVKAOBQLLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-14-5-6-17(11-15(14)2)29(27,28)26-10-7-16(12-26)20-23-19-8-9-25(4)13-18(19)21(22-3)24-20/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,22,23,24).
What are the key properties of 2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 415.56 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127251864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).