6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine

C9H8ClN3 — CID 155340921

IUPAC6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine
SMILESCc1cc(Cl)nc2c(C)ncnc12
InChIInChI=1S/C9H8ClN3/c1-5-3-7(10)13-9-6(2)11-4-12-8(5)9/h3-4H,1-2H3
InChIKeyCAIHMSYULKKISE-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.30
Rot. Bonds

About 6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine

6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine (PubChem CID 155340921) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine
PubChem CID155340921
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine
SMILESCc1cc(Cl)nc2c(C)ncnc12
InChIInChI=1S/C9H8ClN3/c1-5-3-7(10)13-9-6(2)11-4-12-8(5)9/h3-4H,1-2H3
InChIKeyCAIHMSYULKKISE-UHFFFAOYSA-N
XLogP2.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 153194025
6-chloro-2,4-dimethylpyridin-3-amine
CID 71721100
6-bromo-2,4-dichloro-8-methylquinoline
CID 82581146
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
4-chloro-5,6-dimethylpyrimidine
CID 12600389
2,4-dichloro-7,8-dimethylquinoline
CID 82581103
2,4,6-trichloropyrimidine
CID 158990073
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230
5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine
CID 11030208
2,4-dichloro-8-methylquinoline
CID 2748593
5-chloro-2,7-dimethylpyrazolo[3,4-c]pyridine
CID 162432890
2-(bromomethyl)-5-chloro-7-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 169206476

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine?
The IUPAC name of 6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine (CID 155340921) is 6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine is Cc1cc(Cl)nc2c(C)ncnc12.
What is the InChIKey of 6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine?
The InChIKey is CAIHMSYULKKISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-5-3-7(10)13-9-6(2)11-4-12-8(5)9/h3-4H,1-2H3.
What are the key properties of 6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine?
6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine has a molecular weight of 193.64 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 155340921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).