6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C9H7BrClN3O2 — CID 15141673

IUPAC6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Cl)c(Br)cnc2n(C)c1=O
InChIInChI=1S/C9H7BrClN3O2/c1-13-7-5(6(11)4(10)3-12-7)8(15)14(2)9(13)16/h3H,1-2H3
InChIKeyJIXGXQJMFFVAFF-UHFFFAOYSA-N
MW304.53 g/mol
LogP1.05
Rot. Bonds

About 6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 15141673) has the molecular formula C9H7BrClN3O2 and a molecular weight of 304.53 g/mol. Its IUPAC name is 6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID15141673
Molecular FormulaC9H7BrClN3O2
Molecular Weight304.53 g/mol
Exact Mass302.94
IUPAC Name6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Cl)c(Br)cnc2n(C)c1=O
InChIInChI=1S/C9H7BrClN3O2/c1-13-7-5(6(11)4(10)3-12-7)8(15)14(2)9(13)16/h3H,1-2H3
InChIKeyJIXGXQJMFFVAFF-UHFFFAOYSA-N
XLogP1.05
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.53
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 114764119
5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845183
2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16841165
5-(cycloheptylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845292
7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 10538050
2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 41084970
5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845354
13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone
CID 24799349
3-chloro-2,2-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840710
5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16802512
5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845418
1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2826307

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 15141673) is 6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(Cl)c(Br)cnc2n(C)c1=O.
What is the InChIKey of 6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JIXGXQJMFFVAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3O2/c1-13-7-5(6(11)4(10)3-12-7)8(15)14(2)9(13)16/h3H,1-2H3.
What are the key properties of 6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 304.53 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 15141673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).