4,5-dimethylpyrimidine;hydrochloride

C6H9ClN2 — CID 126810746

IUPAC4,5-dimethylpyrimidine;hydrochloride
SMILESCc1cncnc1C.Cl
InChIInChI=1S/C6H8N2.ClH/c1-5-3-7-4-8-6(5)2;/h3-4H,1-2H3;1H
InChIKeyURNCDKCSCUZVGB-UHFFFAOYSA-N
MW144.61 g/mol
LogP1.52
Rot. Bonds

About 4,5-dimethylpyrimidine;hydrochloride

4,5-dimethylpyrimidine;hydrochloride (PubChem CID 126810746) has the molecular formula C6H9ClN2 and a molecular weight of 144.61 g/mol. Its IUPAC name is 4,5-dimethylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4,5-dimethylpyrimidine;hydrochloride
PubChem CID126810746
Molecular FormulaC6H9ClN2
Molecular Weight144.61 g/mol
Exact Mass144.05
IUPAC Name4,5-dimethylpyrimidine;hydrochloride
SMILESCc1cncnc1C.Cl
InChIInChI=1S/C6H8N2.ClH/c1-5-3-7-4-8-6(5)2;/h3-4H,1-2H3;1H
InChIKeyURNCDKCSCUZVGB-UHFFFAOYSA-N
XLogP1.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.61
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);ethane
CID 158803721
2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane
CID 158000853
4-(disulfanyl)-5-methylpyrimidine
CID 134420830
5-(difluoromethyl)-4-methylpyrimidine
CID 170225659
1-(5-methylpyrimidin-4-yl)ethanol
CID 170901013
5-dimethylphosphoryl-4-methylpyrimidine
CID 167253089
5-[(1R)-1-chloroethyl]-4-methylpyrimidine
CID 94587761
2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)
CID 159055777
N-(5-methylpyrimidin-4-yl)ethanimine
CID 89493082
5-methyl-4-propan-2-yloxypyrimidine
CID 54127636
5-methyl-4-(trisulfanyl)pyrimidine
CID 135296184
5-butan-2-yl-4-methylpyrimidine
CID 138494924

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylpyrimidine;hydrochloride?
The IUPAC name of 4,5-dimethylpyrimidine;hydrochloride (CID 126810746) is 4,5-dimethylpyrimidine;hydrochloride.
What is the SMILES notation for 4,5-dimethylpyrimidine;hydrochloride?
The canonical SMILES for 4,5-dimethylpyrimidine;hydrochloride is Cc1cncnc1C.Cl.
What is the InChIKey of 4,5-dimethylpyrimidine;hydrochloride?
The InChIKey is URNCDKCSCUZVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.ClH/c1-5-3-7-4-8-6(5)2;/h3-4H,1-2H3;1H.
What are the key properties of 4,5-dimethylpyrimidine;hydrochloride?
4,5-dimethylpyrimidine;hydrochloride has a molecular weight of 144.61 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylpyrimidine;hydrochloride is sourced from PubChem (CID 126810746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).