2,4-dichloro-5,6-dimethylpyrimidine

C12H12Cl4N4 — CID 156777151

IUPAC2,4-dichloro-5,6-dimethylpyrimidine
SMILESCc1nc(Cl)nc(Cl)c1C.Cc1nc(Cl)nc(Cl)c1C
InChIInChI=1S/2C6H6Cl2N2/c2*1-3-4(2)9-6(8)10-5(3)7/h2*1-2H3
InChIKeyPNFXSMAMJWVEOM-UHFFFAOYSA-N
MW354.07 g/mol
LogP4.80
Rot. Bonds

About 2,4-dichloro-5,6-dimethylpyrimidine

2,4-dichloro-5,6-dimethylpyrimidine (PubChem CID 156777151) has the molecular formula C12H12Cl4N4 and a molecular weight of 354.07 g/mol. Its IUPAC name is 2,4-dichloro-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5,6-dimethylpyrimidine
PubChem CID156777151
Molecular FormulaC12H12Cl4N4
Molecular Weight354.07 g/mol
Exact Mass351.98
IUPAC Name2,4-dichloro-5,6-dimethylpyrimidine
SMILESCc1nc(Cl)nc(Cl)c1C.Cc1nc(Cl)nc(Cl)c1C
InChIInChI=1S/2C6H6Cl2N2/c2*1-3-4(2)9-6(8)10-5(3)7/h2*1-2H3
InChIKeyPNFXSMAMJWVEOM-UHFFFAOYSA-N
XLogP4.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.07
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5,6-dimethylpyrimidine?
The IUPAC name of 2,4-dichloro-5,6-dimethylpyrimidine (CID 156777151) is 2,4-dichloro-5,6-dimethylpyrimidine.
What is the SMILES notation for 2,4-dichloro-5,6-dimethylpyrimidine?
The canonical SMILES for 2,4-dichloro-5,6-dimethylpyrimidine is Cc1nc(Cl)nc(Cl)c1C.Cc1nc(Cl)nc(Cl)c1C.
What is the InChIKey of 2,4-dichloro-5,6-dimethylpyrimidine?
The InChIKey is PNFXSMAMJWVEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6Cl2N2/c2*1-3-4(2)9-6(8)10-5(3)7/h2*1-2H3.
What are the key properties of 2,4-dichloro-5,6-dimethylpyrimidine?
2,4-dichloro-5,6-dimethylpyrimidine has a molecular weight of 354.07 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5,6-dimethylpyrimidine is sourced from PubChem (CID 156777151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).