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

C23H26N4O4S — CID 50787288

IUPACN-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)CCN(S(=O)(=O)c2ccc(C)c(C)c2)C3)cc(OC)c1
InChIInChI=1S/C23H26N4O4S/c1-15-5-6-21(9-16(15)2)32(28,29)27-8-7-22-17(14-27)13-24-23(26-22)25-18-10-19(30-3)12-20(11-18)31-4/h5-6,9-13H,7-8,14H2,1-4H3,(H,24,25,26)
InChIKeyGRASKIAPWALOAJ-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.60
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 50787288) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID50787288
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)CCN(S(=O)(=O)c2ccc(C)c(C)c2)C3)cc(OC)c1
InChIInChI=1S/C23H26N4O4S/c1-15-5-6-21(9-16(15)2)32(28,29)27-8-7-22-17(14-27)13-24-23(26-22)25-18-10-19(30-3)12-20(11-18)31-4/h5-6,9-13H,7-8,14H2,1-4H3,(H,24,25,26)
InChIKeyGRASKIAPWALOAJ-UHFFFAOYSA-N
XLogP3.60
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
7-(3-methoxyphenyl)sulfonyl-2-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24732775
5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 86265131
7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
CID 59490871
6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68847177
6-[(3,4-dimethylphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960619
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
N-[6-(5-fluoro-2-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylbenzamide
CID 11619071
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
N-(4-methoxyphenyl)-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960365

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 50787288) is N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1cc(Nc2ncc3c(n2)CCN(S(=O)(=O)c2ccc(C)c(C)c2)C3)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is GRASKIAPWALOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-15-5-6-21(9-16(15)2)32(28,29)27-8-7-22-17(14-27)13-24-23(26-22)25-18-10-19(30-3)12-20(11-18)31-4/h5-6,9-13H,7-8,14H2,1-4H3,(H,24,25,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 454.55 g/mol, XLogP of 3.60, 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-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 50787288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).