6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine

C16H20N4O2S — CID 138403827

IUPAC6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine
SMILESCOc1cc(OC)cc(N2Cc3cnc(SC)nc3N(C)C2)c1
InChIInChI=1S/C16H20N4O2S/c1-19-10-20(9-11-8-17-16(23-4)18-15(11)19)12-5-13(21-2)7-14(6-12)22-3/h5-8H,9-10H2,1-4H3
InChIKeyZBXZVWJUXGJHAT-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.63
Rot. Bonds4

About 6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine

6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine (PubChem CID 138403827) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine
PubChem CID138403827
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine
SMILESCOc1cc(OC)cc(N2Cc3cnc(SC)nc3N(C)C2)c1
InChIInChI=1S/C16H20N4O2S/c1-19-10-20(9-11-8-17-16(23-4)18-15(11)19)12-5-13(21-2)7-14(6-12)22-3/h5-8H,9-10H2,1-4H3
InChIKeyZBXZVWJUXGJHAT-UHFFFAOYSA-N
XLogP2.63
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine (CID 138403827) is 6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine is COc1cc(OC)cc(N2Cc3cnc(SC)nc3N(C)C2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine?
The InChIKey is ZBXZVWJUXGJHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19-10-20(9-11-8-17-16(23-4)18-15(11)19)12-5-13(21-2)7-14(6-12)22-3/h5-8H,9-10H2,1-4H3.
What are the key properties of 6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine?
6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine has a molecular weight of 332.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanyl-5,7-dihydropyrimido[4,5-d]pyrimidine is sourced from PubChem (CID 138403827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).