7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C20H26FN5O2S — CID 110265937

IUPAC7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN2C)nc2c1CCN(S(=O)(=O)c1ccc(C)c(F)c1)C2
InChIInChI=1S/C20H26FN5O2S/c1-13-6-7-14(11-16(13)21)29(27,28)26-10-8-15-17(12-26)23-20(24-19(15)22-2)18-5-4-9-25(18)3/h6-7,11,18H,4-5,8-10,12H2,1-3H3,(H,22,23,24)
InChIKeyKBRBCAJZVCOWNY-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.48
Rot. Bonds4

About 7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 110265937) has the molecular formula C20H26FN5O2S and a molecular weight of 419.53 g/mol. Its IUPAC name is 7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID110265937
Molecular FormulaC20H26FN5O2S
Molecular Weight419.53 g/mol
Exact Mass419.18
IUPAC Name7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN2C)nc2c1CCN(S(=O)(=O)c1ccc(C)c(F)c1)C2
InChIInChI=1S/C20H26FN5O2S/c1-13-6-7-14(11-16(13)21)29(27,28)26-10-8-15-17(12-26)23-20(24-19(15)22-2)18-5-4-9-25(18)3/h6-7,11,18H,4-5,8-10,12H2,1-3H3,(H,22,23,24)
InChIKeyKBRBCAJZVCOWNY-UHFFFAOYSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

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
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
1-[(2S)-2-[7-(2-chlorophenyl)sulfonyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92622936
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 127251864
2-(3-fluorophenyl)-2-methyl-1-[4-(methylamino)-2-[(2R)-1-methylpiperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
CID 95836522
N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 155901618
[1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92622950
2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629922
2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92624840
2-(2,3-dimethylphenoxy)-2-methyl-1-[(2R)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92622983
6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
CID 95836266
2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 95832416

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 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) is 7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CNc1nc(C2CCCN2C)nc2c1CCN(S(=O)(=O)c1ccc(C)c(F)c1)C2.
What is the InChIKey of 7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is KBRBCAJZVCOWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2S/c1-13-6-7-14(11-16(13)21)29(27,28)26-10-8-15-17(12-26)23-20(24-19(15)22-2)18-5-4-9-25(18)3/h6-7,11,18H,4-5,8-10,12H2,1-3H3,(H,22,23,24).
What are the key properties of 7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 419.53 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110265937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).