1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C12H15N3O2 — CID 51109198

IUPAC1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C12H15N3O2/c1-7(2)9-6-5-8-10(13-9)14(3)12(17)15(4)11(8)16/h5-7H,1-4H3
InChIKeyNBYVXGPUAMTYQB-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.76
Rot. Bonds1

About 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 51109198) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID51109198
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C12H15N3O2/c1-7(2)9-6-5-8-10(13-9)14(3)12(17)15(4)11(8)16/h5-7H,1-4H3
InChIKeyNBYVXGPUAMTYQB-UHFFFAOYSA-N
XLogP0.76
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(dimethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 101014854
ethyl 1,3-dimethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 47008966
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120853321
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
8-[(E)-2-(4-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
CID 71717928
6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 66490017
(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane
CID 173012606
1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55720567
1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione
CID 167483189
1,3-dimethyl-7-piperidin-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110266723
1,3,8-trimethylpyrimido[4,5-b]quinoline-2,4-dione
CID 2785860
8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67988424

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 51109198) is 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NBYVXGPUAMTYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(2)9-6-5-8-10(13-9)14(3)12(17)15(4)11(8)16/h5-7H,1-4H3.
What are the key properties of 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 51109198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).