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

C9H9N3O2 — CID 3086912

IUPAC1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cnccc2n(C)c1=O
InChIInChI=1S/C9H9N3O2/c1-11-7-3-4-10-5-6(7)8(13)12(2)9(11)14/h3-5H,1-2H3
InChIKeyGXLUIUJUEVVCKL-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.37
Rot. Bonds

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

1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 3086912) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID3086912
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cnccc2n(C)c1=O
InChIInChI=1S/C9H9N3O2/c1-11-7-3-4-10-5-6(7)8(13)12(2)9(11)14/h3-5H,1-2H3
InChIKeyGXLUIUJUEVVCKL-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

N,N-Diethylnicotinamide
CID 5497
4-Pyridylnicotinamide
CID 3049109
1H-Pyrido[2,3-d]pyrimidine-2,4-dione
CID 270260
6-amino-1,3-dimethyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidine-2,4-dione
CID 8934584
N,N-Dipropylnicotinamide
CID 139084
1,3-dimethyl-5-(pyridin-3-ylmethylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 3679605
1H,2H,3H,4H-pyrido(3,4-d)pyrimidine-2,4-dione
CID 278397
3,4-dihydro-2H-quinolin-1-yl(pyridin-3-yl)methanone
CID 743438
3-butyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
CID 3244951
AC1LI3WB
CID 848491
N-Butyl-N'-nicotinoylurea
CID 203134
Nicotinamide, N-(4-methyl-1-piperazinylmethyl)-
CID 217174

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione (CID 3086912) is 1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2cnccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is GXLUIUJUEVVCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-11-7-3-4-10-5-6(7)8(13)12(2)9(11)14/h3-5H,1-2H3.
What are the key properties of 1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
1,3-dimethylpyrido[4,3-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[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3086912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).