2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C22H31N5O3S — CID 110262465

IUPAC2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2c2nc3c(c(N(C)C)n2)CN(C)CC3)cc1
InChIInChI=1S/C22H31N5O3S/c1-25(2)22-18-15-26(3)14-12-19(18)23-21(24-22)20-7-5-6-13-27(20)31(28,29)17-10-8-16(30-4)9-11-17/h8-11,20H,5-7,12-15H2,1-4H3
InChIKeyJGDIDNLJRFKYDW-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.45
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 110262465) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID110262465
Molecular FormulaC22H31N5O3S
Molecular Weight445.59 g/mol
Exact Mass445.21
IUPAC Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2c2nc3c(c(N(C)C)n2)CN(C)CC3)cc1
InChIInChI=1S/C22H31N5O3S/c1-25(2)22-18-15-26(3)14-12-19(18)23-21(24-22)20-7-5-6-13-27(20)31(28,29)17-10-8-16(30-4)9-11-17/h8-11,20H,5-7,12-15H2,1-4H3
InChIKeyJGDIDNLJRFKYDW-UHFFFAOYSA-N
XLogP2.45
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92624702
[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 110262435
1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110262476
2-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylazepane
CID 53096146
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide
CID 27304150
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
(2R)-1-(4-methoxyphenyl)sulfonyl-2-(3-methylthiophen-2-yl)azepane
CID 92502814
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 53096130

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 110262465) is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is COc1ccc(S(=O)(=O)N2CCCCC2c2nc3c(c(N(C)C)n2)CN(C)CC3)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is JGDIDNLJRFKYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-25(2)22-18-15-26(3)14-12-19(18)23-21(24-22)20-7-5-6-13-27(20)31(28,29)17-10-8-16(30-4)9-11-17/h8-11,20H,5-7,12-15H2,1-4H3.
What are the key properties of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 445.59 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110262465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).