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

C9H9N3O2 — CID 605608

IUPAC1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ncccc2n(C)c1=O
InChIInChI=1S/C9H9N3O2/c1-11-6-4-3-5-10-7(6)8(13)12(2)9(11)14/h3-5H,1-2H3
InChIKeyRLCRKTSZZLSQKH-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.37
Rot. Bonds

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

1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 605608) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID605608
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ncccc2n(C)c1=O
InChIInChI=1S/C9H9N3O2/c1-11-6-4-3-5-10-7(6)8(13)12(2)9(11)14/h3-5H,1-2H3
InChIKeyRLCRKTSZZLSQKH-UHFFFAOYSA-N
XLogP-0.37
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Diquat metabolite
CID 86209565
1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3,5-trimethyl-
CID 3043224
4-(2-Pyridylcarbonyl)-1,3,4-trihydroquinoxalin-2-one
CID 2316008
2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-(pyridin-3-yl)acetamide
CID 4906968
(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylpropanamide
CID 8027781
2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-(pyridin-3-yl)butanamide
CID 4905540
2499-96-9
CID 273240
Pyrido[3,2-d]pyrimidin-4(3H)-one, 3-hydroxy-2-methyl-
CID 542016
2-Methylpyrido[3,2-d]pyrimidin-4(3H)-one
CID 135703359
Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-
CID 3086912
N,N-diethyl-4-[(5-methylpyridin-2-yl)carbonyl]piperazine-1-carboxamide
CID 3240368
5-Methyl-1,3-dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10264078

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione (CID 605608) is 1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2ncccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is RLCRKTSZZLSQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-11-6-4-3-5-10-7(6)8(13)12(2)9(11)14/h3-5H,1-2H3.
What are the key properties of 1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione?
1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 191.19 g/mol, XLogP of -0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 605608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).