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

C17H22N4O3S — CID 56876737

IUPAC7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1S(=O)(=O)N1CCc2c(nc(C)nc2N(C)C)C1
InChIInChI=1S/C17H22N4O3S/c1-12-18-14-11-21(10-9-13(14)17(19-12)20(2)3)25(22,23)16-8-6-5-7-15(16)24-4/h5-8H,9-11H2,1-4H3
InChIKeyUXTNXVBUYZISQK-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.61
Rot. Bonds4

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

7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56876737) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID56876737
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1S(=O)(=O)N1CCc2c(nc(C)nc2N(C)C)C1
InChIInChI=1S/C17H22N4O3S/c1-12-18-14-11-21(10-9-13(14)17(19-12)20(2)3)25(22,23)16-8-6-5-7-15(16)24-4/h5-8H,9-11H2,1-4H3
InChIKeyUXTNXVBUYZISQK-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-(2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 56896970
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
1-ethylsulfonyl-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 110799657
2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide
CID 56917443
hydron;1-(2-methoxyphenyl)sulfonylpiperazine;chloride
CID 51066589
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346859
1-(3,5-dichloro-4-pyridinyl)-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 24852724
1-[2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 127251951
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779698
2-tert-butyl-5-(5-chloro-2-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169420041

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 56876737) is 7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is COc1ccccc1S(=O)(=O)N1CCc2c(nc(C)nc2N(C)C)C1.
What is the InChIKey of 7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is UXTNXVBUYZISQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-18-14-11-21(10-9-13(14)17(19-12)20(2)3)25(22,23)16-8-6-5-7-15(16)24-4/h5-8H,9-11H2,1-4H3.
What are the key properties of 7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 362.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)sulfonyl-N,N,2-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56876737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).