1,4-dichloro-6-methyl-2H-pyrimidine

C5H6Cl2N2 — CID 160585366

IUPAC1,4-dichloro-6-methyl-2H-pyrimidine
SMILESCC1=CC(Cl)=NCN1Cl
InChIInChI=1S/C5H6Cl2N2/c1-4-2-5(6)8-3-9(4)7/h2H,3H2,1H3
InChIKeyRCIATPWGWYOQND-UHFFFAOYSA-N
MW165.02 g/mol
LogP1.95
Rot. Bonds

About 1,4-dichloro-6-methyl-2H-pyrimidine

1,4-dichloro-6-methyl-2H-pyrimidine (PubChem CID 160585366) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is 1,4-dichloro-6-methyl-2H-pyrimidine.

Molecular Properties

Compound Name1,4-dichloro-6-methyl-2H-pyrimidine
PubChem CID160585366
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name1,4-dichloro-6-methyl-2H-pyrimidine
SMILESCC1=CC(Cl)=NCN1Cl
InChIInChI=1S/C5H6Cl2N2/c1-4-2-5(6)8-3-9(4)7/h2H,3H2,1H3
InChIKeyRCIATPWGWYOQND-UHFFFAOYSA-N
XLogP1.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-6-methyl-2H-pyrimidine?
The IUPAC name of 1,4-dichloro-6-methyl-2H-pyrimidine (CID 160585366) is 1,4-dichloro-6-methyl-2H-pyrimidine.
What is the SMILES notation for 1,4-dichloro-6-methyl-2H-pyrimidine?
The canonical SMILES for 1,4-dichloro-6-methyl-2H-pyrimidine is CC1=CC(Cl)=NCN1Cl.
What is the InChIKey of 1,4-dichloro-6-methyl-2H-pyrimidine?
The InChIKey is RCIATPWGWYOQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c1-4-2-5(6)8-3-9(4)7/h2H,3H2,1H3.
What are the key properties of 1,4-dichloro-6-methyl-2H-pyrimidine?
1,4-dichloro-6-methyl-2H-pyrimidine has a molecular weight of 165.02 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-6-methyl-2H-pyrimidine is sourced from PubChem (CID 160585366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).