2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine

C8H7Cl2N3 — CID 155671482

IUPAC2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine
SMILESCC1CC=c2c(Cl)nc(Cl)nc2=N1
InChIInChI=1S/C8H7Cl2N3/c1-4-2-3-5-6(9)12-8(10)13-7(5)11-4/h3-4H,2H2,1H3
InChIKeyWZKNYRZTWYPLOM-UHFFFAOYSA-N
MW216.07 g/mol
LogP0.98
Rot. Bonds

About 2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine

2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine (PubChem CID 155671482) has the molecular formula C8H7Cl2N3 and a molecular weight of 216.07 g/mol. Its IUPAC name is 2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine
PubChem CID155671482
Molecular FormulaC8H7Cl2N3
Molecular Weight216.07 g/mol
Exact Mass215.00
IUPAC Name2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine
SMILESCC1CC=c2c(Cl)nc(Cl)nc2=N1
InChIInChI=1S/C8H7Cl2N3/c1-4-2-3-5-6(9)12-8(10)13-7(5)11-4/h3-4H,2H2,1H3
InChIKeyWZKNYRZTWYPLOM-UHFFFAOYSA-N
XLogP0.98
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine (CID 155671482) is 2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine is CC1CC=c2c(Cl)nc(Cl)nc2=N1.
What is the InChIKey of 2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine?
The InChIKey is WZKNYRZTWYPLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3/c1-4-2-3-5-6(9)12-8(10)13-7(5)11-4/h3-4H,2H2,1H3.
What are the key properties of 2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine?
2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine has a molecular weight of 216.07 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-methyl-6,7-dihydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 155671482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).