4-chloro-8-methylpyrido[3,4-d]pyrimidine

C8H6ClN3 — CID 162341396

IUPAC4-chloro-8-methylpyrido[3,4-d]pyrimidine
SMILESCc1nccc2c(Cl)ncnc12
InChIInChI=1S/C8H6ClN3/c1-5-7-6(2-3-10-5)8(9)12-4-11-7/h2-4H,1H3
InChIKeyISIBZDKPXXERSL-UHFFFAOYSA-N
MW179.61 g/mol
LogP1.99
Rot. Bonds

About 4-chloro-8-methylpyrido[3,4-d]pyrimidine

4-chloro-8-methylpyrido[3,4-d]pyrimidine (PubChem CID 162341396) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 4-chloro-8-methylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-8-methylpyrido[3,4-d]pyrimidine
PubChem CID162341396
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name4-chloro-8-methylpyrido[3,4-d]pyrimidine
SMILESCc1nccc2c(Cl)ncnc12
InChIInChI=1S/C8H6ClN3/c1-5-7-6(2-3-10-5)8(9)12-4-11-7/h2-4H,1H3
InChIKeyISIBZDKPXXERSL-UHFFFAOYSA-N
XLogP1.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloroquinazoline
CID 78864
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-(3-bromophenyl)-6-chloropyrido[3,4-d]pyrimidin-4-amine
CID 5328259
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264
N-benzylpyrido[3,2-d]pyrimidin-4-amine
CID 5328272
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345
3-Phenylpyrido[2,3-b]pyrazine
CID 343554
2-(3,5-Dichlorophenyl)-7-methylpyrido[2,3-d]pyrimidine
CID 44435034
1,7-Naphthyridin-8-amine
CID 2737037

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methylpyrido[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-8-methylpyrido[3,4-d]pyrimidine (CID 162341396) is 4-chloro-8-methylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-8-methylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-8-methylpyrido[3,4-d]pyrimidine is Cc1nccc2c(Cl)ncnc12.
What is the InChIKey of 4-chloro-8-methylpyrido[3,4-d]pyrimidine?
The InChIKey is ISIBZDKPXXERSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c1-5-7-6(2-3-10-5)8(9)12-4-11-7/h2-4H,1H3.
What are the key properties of 4-chloro-8-methylpyrido[3,4-d]pyrimidine?
4-chloro-8-methylpyrido[3,4-d]pyrimidine has a molecular weight of 179.61 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 162341396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).