N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C25H28N4O4S — CID 50787287

IUPACN-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)CCN(S(=O)(=O)c2ccc4c(c2)CCCC4)C3)cc(OC)c1
InChIInChI=1S/C25H28N4O4S/c1-32-21-12-20(13-22(14-21)33-2)27-25-26-15-19-16-29(10-9-24(19)28-25)34(30,31)23-8-7-17-5-3-4-6-18(17)11-23/h7-8,11-15H,3-6,9-10,16H2,1-2H3,(H,26,27,28)
InChIKeyVONLAPZUTFGQMW-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.86
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 50787287) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID50787287
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)CCN(S(=O)(=O)c2ccc4c(c2)CCCC4)C3)cc(OC)c1
InChIInChI=1S/C25H28N4O4S/c1-32-21-12-20(13-22(14-21)33-2)27-25-26-15-19-16-29(10-9-24(19)28-25)34(30,31)23-8-7-17-5-3-4-6-18(17)11-23/h7-8,11-15H,3-6,9-10,16H2,1-2H3,(H,26,27,28)
InChIKeyVONLAPZUTFGQMW-UHFFFAOYSA-N
XLogP3.86
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 50787288
6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147461
6-(4-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147416
5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145333
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16930454
7-(3-methoxyphenyl)sulfonyl-2-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24732775
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbenzenesulfonamide
CID 16926329
6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960315
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
CID 9257787
6-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46345905
2-methoxy-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16930520
11-(3-methoxyphenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 90628428

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 50787287) is N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1cc(Nc2ncc3c(n2)CCN(S(=O)(=O)c2ccc4c(c2)CCCC4)C3)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is VONLAPZUTFGQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-32-21-12-20(13-22(14-21)33-2)27-25-26-15-19-16-29(10-9-24(19)28-25)34(30,31)23-8-7-17-5-3-4-6-18(17)11-23/h7-8,11-15H,3-6,9-10,16H2,1-2H3,(H,26,27,28).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 480.59 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 50787287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).