6-chloro-3,4-dimethyl-4H-pyrimidine

C6H9ClN2 — CID 54429890

IUPAC6-chloro-3,4-dimethyl-4H-pyrimidine
SMILESCC1C=C(Cl)N=CN1C
InChIInChI=1S/C6H9ClN2/c1-5-3-6(7)8-4-9(5)2/h3-5H,1-2H3
InChIKeyWGSPKNOTBPQDTR-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.43
Rot. Bonds

About 6-chloro-3,4-dimethyl-4H-pyrimidine

6-chloro-3,4-dimethyl-4H-pyrimidine (PubChem CID 54429890) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 6-chloro-3,4-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name6-chloro-3,4-dimethyl-4H-pyrimidine
PubChem CID54429890
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name6-chloro-3,4-dimethyl-4H-pyrimidine
SMILESCC1C=C(Cl)N=CN1C
InChIInChI=1S/C6H9ClN2/c1-5-3-6(7)8-4-9(5)2/h3-5H,1-2H3
InChIKeyWGSPKNOTBPQDTR-UHFFFAOYSA-N
XLogP1.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dimethyl-4H-pyrimidine?
The IUPAC name of 6-chloro-3,4-dimethyl-4H-pyrimidine (CID 54429890) is 6-chloro-3,4-dimethyl-4H-pyrimidine.
What is the SMILES notation for 6-chloro-3,4-dimethyl-4H-pyrimidine?
The canonical SMILES for 6-chloro-3,4-dimethyl-4H-pyrimidine is CC1C=C(Cl)N=CN1C.
What is the InChIKey of 6-chloro-3,4-dimethyl-4H-pyrimidine?
The InChIKey is WGSPKNOTBPQDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-5-3-6(7)8-4-9(5)2/h3-5H,1-2H3.
What are the key properties of 6-chloro-3,4-dimethyl-4H-pyrimidine?
6-chloro-3,4-dimethyl-4H-pyrimidine has a molecular weight of 144.60 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dimethyl-4H-pyrimidine is sourced from PubChem (CID 54429890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).