4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione

C20H17N5O4 — CID 136510035

IUPAC4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
SMILESCOc1cccc(-c2nc3c(N)n(-c4ccc(C)cc4)c(=O)nc3c(=O)[nH]2)c1O
InChIInChI=1S/C20H17N5O4/c1-10-6-8-11(9-7-10)25-17(21)14-15(23-20(25)28)19(27)24-18(22-14)12-4-3-5-13(29-2)16(12)26/h3-9,26H,21H2,1-2H3,(H,22,24,27)
InChIKeyPWTPLWOJUBAGLL-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.74
Rot. Bonds3

About 4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione

4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione (PubChem CID 136510035) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione.

Molecular Properties

Compound Name4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
PubChem CID136510035
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
SMILESCOc1cccc(-c2nc3c(N)n(-c4ccc(C)cc4)c(=O)nc3c(=O)[nH]2)c1O
InChIInChI=1S/C20H17N5O4/c1-10-6-8-11(9-7-10)25-17(21)14-15(23-20(25)28)19(27)24-18(22-14)12-4-3-5-13(29-2)16(12)26/h3-9,26H,21H2,1-2H3,(H,22,24,27)
InChIKeyPWTPLWOJUBAGLL-UHFFFAOYSA-N
XLogP1.74
TPSA136.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
The IUPAC name of 4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione (CID 136510035) is 4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione.
What is the SMILES notation for 4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
The canonical SMILES for 4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione is COc1cccc(-c2nc3c(N)n(-c4ccc(C)cc4)c(=O)nc3c(=O)[nH]2)c1O.
What is the InChIKey of 4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
The InChIKey is PWTPLWOJUBAGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-10-6-8-11(9-7-10)25-17(21)14-15(23-20(25)28)19(27)24-18(22-14)12-4-3-5-13(29-2)16(12)26/h3-9,26H,21H2,1-2H3,(H,22,24,27).
What are the key properties of 4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione has a molecular weight of 391.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione is sourced from PubChem (CID 136510035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).