3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one

C17H20N4O4 — CID 144708989

IUPAC3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCOc1cc(OC)c(O)c(N2Cc3cnc(C)nc3N(C)C2=O)c1C
InChIInChI=1S/C17H20N4O4/c1-9-12(24-4)6-13(25-5)15(22)14(9)21-8-11-7-18-10(2)19-16(11)20(3)17(21)23/h6-7,22H,8H2,1-5H3
InChIKeyRBYLZFZKUPWPGO-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.39
Rot. Bonds3

About 3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one

3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 144708989) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one
PubChem CID144708989
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCOc1cc(OC)c(O)c(N2Cc3cnc(C)nc3N(C)C2=O)c1C
InChIInChI=1S/C17H20N4O4/c1-9-12(24-4)6-13(25-5)15(22)14(9)21-8-11-7-18-10(2)19-16(11)20(3)17(21)23/h6-7,22H,8H2,1-5H3
InChIKeyRBYLZFZKUPWPGO-UHFFFAOYSA-N
XLogP2.39
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one (CID 144708989) is 3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one is COc1cc(OC)c(O)c(N2Cc3cnc(C)nc3N(C)C2=O)c1C.
What is the InChIKey of 3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is RBYLZFZKUPWPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-9-12(24-4)6-13(25-5)15(22)14(9)21-8-11-7-18-10(2)19-16(11)20(3)17(21)23/h6-7,22H,8H2,1-5H3.
What are the key properties of 3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one?
3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 344.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,5-dimethoxy-6-methylphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 144708989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).