5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione

C9H10N4O2 — CID 3086910

IUPAC5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(N)nccc2n(C)c1=O
InChIInChI=1S/C9H10N4O2/c1-12-5-3-4-11-7(10)6(5)8(14)13(2)9(12)15/h3-4H,1-2H3,(H2,10,11)
InChIKeyZEPRKDUCWLNQPC-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.79
Rot. Bonds

About 5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione

5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 3086910) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID3086910
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(N)nccc2n(C)c1=O
InChIInChI=1S/C9H10N4O2/c1-12-5-3-4-11-7(10)6(5)8(14)13(2)9(12)15/h3-4H,1-2H3,(H2,10,11)
InChIKeyZEPRKDUCWLNQPC-UHFFFAOYSA-N
XLogP-0.79
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione (CID 3086910) is 5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(N)nccc2n(C)c1=O.
What is the InChIKey of 5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is ZEPRKDUCWLNQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-12-5-3-4-11-7(10)6(5)8(14)13(2)9(12)15/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 206.21 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3086910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).