4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine

C10H7Cl2N3 — CID 12057467

IUPAC4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1c(Cl)nc(-c2ccccn2)nc1Cl
InChIInChI=1S/C10H7Cl2N3/c1-6-8(11)14-10(15-9(6)12)7-4-2-3-5-13-7/h2-5H,1H3
InChIKeyGKQVGLLABJUKGW-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.15
Rot. Bonds1

About 4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine

4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine (PubChem CID 12057467) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine
PubChem CID12057467
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1c(Cl)nc(-c2ccccn2)nc1Cl
InChIInChI=1S/C10H7Cl2N3/c1-6-8(11)14-10(15-9(6)12)7-4-2-3-5-13-7/h2-5H,1H3
InChIKeyGKQVGLLABJUKGW-UHFFFAOYSA-N
XLogP3.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine (CID 12057467) is 4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine is Cc1c(Cl)nc(-c2ccccn2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine?
The InChIKey is GKQVGLLABJUKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c1-6-8(11)14-10(15-9(6)12)7-4-2-3-5-13-7/h2-5H,1H3.
What are the key properties of 4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine?
4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine has a molecular weight of 240.09 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 12057467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).