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

C22H31N5O3S — CID 127251879

IUPAC2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)C2)nc2c1CN(C)CC2
InChIInChI=1S/C22H31N5O3S/c1-14-11-20(15(2)10-19(14)30-5)31(28,29)27-9-6-16(12-27)21-24-18-7-8-26(4)13-17(18)22(23-3)25-21/h10-11,16H,6-9,12-13H2,1-5H3,(H,23,24,25)
InChIKeyIRMPBSLXQDPBOK-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.31
Rot. Bonds5

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

2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 127251879) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID127251879
Molecular FormulaC22H31N5O3S
Molecular Weight445.59 g/mol
Exact Mass445.21
IUPAC Name2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)C2)nc2c1CN(C)CC2
InChIInChI=1S/C22H31N5O3S/c1-14-11-20(15(2)10-19(14)30-5)31(28,29)27-9-6-16(12-27)21-24-18-7-8-26(4)13-17(18)22(23-3)25-21/h10-11,16H,6-9,12-13H2,1-5H3,(H,23,24,25)
InChIKeyIRMPBSLXQDPBOK-UHFFFAOYSA-N
XLogP2.31
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-[(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-[2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 127251951
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
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-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 110265879
2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92624702
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084274
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 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) is 2-[1-(4-methoxy-2,5-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-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CNc1nc(C2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)C2)nc2c1CN(C)CC2.
What is the InChIKey of 2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is IRMPBSLXQDPBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-14-11-20(15(2)10-19(14)30-5)31(28,29)27-9-6-16(12-27)21-24-18-7-8-26(4)13-17(18)22(23-3)25-21/h10-11,16H,6-9,12-13H2,1-5H3,(H,23,24,25).
What are the key properties of 2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 445.59 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127251879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).