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

C11H13N3O2 — CID 146615670

IUPAC1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)c2cccnc2n(C)c1=O
InChIInChI=1S/C11H13N3O2/c1-7(2)14-10(15)8-5-4-6-12-9(8)13(3)11(14)16/h4-7H,1-3H3
InChIKeyNXDOHZFKXNWEMJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.68
Rot. Bonds1

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

1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 146615670) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID146615670
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)c2cccnc2n(C)c1=O
InChIInChI=1S/C11H13N3O2/c1-7(2)14-10(15)8-5-4-6-12-9(8)13(3)11(14)16/h4-7H,1-3H3
InChIKeyNXDOHZFKXNWEMJ-UHFFFAOYSA-N
XLogP0.68
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-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

1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione
CID 146615672
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 134536405
1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid
CID 141185183
2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
CID 20879912
2,5-dimethyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 132576053
1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84670724
3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one
CID 139946765
9-methylpyrido[2,3-b]indole
CID 12596580
13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione
CID 135513699
(4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium
CID 87903535
9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione
CID 10690436

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 146615670) is 1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CC(C)n1c(=O)c2cccnc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NXDOHZFKXNWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)14-10(15)8-5-4-6-12-9(8)13(3)11(14)16/h4-7H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146615670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).