1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione

C7H7N3O3 — CID 131852809

IUPAC1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione
SMILESO=C1NCCc2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C7H7N3O3/c11-5-3-1-2-8-6(12)4(3)9-7(13)10-5/h1-2H2,(H,8,12)(H2,9,10,11,13)
InChIKeyNTDXKDFLDPGTHL-UHFFFAOYSA-N
MW181.15 g/mol
LogP-1.65
Rot. Bonds

About 1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione

1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione (PubChem CID 131852809) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione.

Molecular Properties

Compound Name1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione
PubChem CID131852809
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione
SMILESO=C1NCCc2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C7H7N3O3/c11-5-3-1-2-8-6(12)4(3)9-7(13)10-5/h1-2H2,(H,8,12)(H2,9,10,11,13)
InChIKeyNTDXKDFLDPGTHL-UHFFFAOYSA-N
XLogP-1.65
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione?
The IUPAC name of 1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione (CID 131852809) is 1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione.
What is the SMILES notation for 1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione?
The canonical SMILES for 1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione is O=C1NCCc2c1[nH]c(=O)[nH]c2=O.
What is the InChIKey of 1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione?
The InChIKey is NTDXKDFLDPGTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c11-5-3-1-2-8-6(12)4(3)9-7(13)10-5/h1-2H2,(H,8,12)(H2,9,10,11,13).
What are the key properties of 1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione?
1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione has a molecular weight of 181.15 g/mol, XLogP of -1.65, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-2,4,8-trione is sourced from PubChem (CID 131852809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).