2-chloro-1,6-dimethyl-2H-pyrimidine

C6H9ClN2 — CID 154025256

IUPAC2-chloro-1,6-dimethyl-2H-pyrimidine
SMILESCC1=CC=NC(Cl)N1C
InChIInChI=1S/C6H9ClN2/c1-5-3-4-8-6(7)9(5)2/h3-4,6H,1-2H3
InChIKeyJVSPAUIBXJOJGK-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.43
Rot. Bonds

About 2-chloro-1,6-dimethyl-2H-pyrimidine

2-chloro-1,6-dimethyl-2H-pyrimidine (PubChem CID 154025256) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 2-chloro-1,6-dimethyl-2H-pyrimidine.

Molecular Properties

Compound Name2-chloro-1,6-dimethyl-2H-pyrimidine
PubChem CID154025256
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name2-chloro-1,6-dimethyl-2H-pyrimidine
SMILESCC1=CC=NC(Cl)N1C
InChIInChI=1S/C6H9ClN2/c1-5-3-4-8-6(7)9(5)2/h3-4,6H,1-2H3
InChIKeyJVSPAUIBXJOJGK-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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-1,6-dimethyl-2H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4-Trimethylpyrimidin-1-ium-2-thione chloride
CID 12097283
2-Chloro-6-methyl-1,2-dihydropyrimidine
CID 20165511
1,6-Dimethyl-2-methylidenepyrimidine
CID 58719906
1-Ethyl-6-methyl-2-methylidenepyrimidine
CID 58719966
4-methyl-6H-pyrimido[1,6-a]pyrimidine
CID 68250928
1,6-Dimethyl-2-methylidenepyrimidine;ethane
CID 91418894
Ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane
CID 91559484
4-Chloro-1,6-dimethyl-2-methylidenepyrimidine
CID 123459081
(2E)-2-ethylidene-1,6-dimethylpyrimidine
CID 135253872
1,6-dimethyl-2H-pyrimidine
CID 137427369
1,2,6-trimethyl-2H-pyrimidine
CID 138737429
6-methyl-2H-pyrimidine-1-carbonitrile
CID 140037415

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,6-dimethyl-2H-pyrimidine?
The IUPAC name of 2-chloro-1,6-dimethyl-2H-pyrimidine (CID 154025256) is 2-chloro-1,6-dimethyl-2H-pyrimidine.
What is the SMILES notation for 2-chloro-1,6-dimethyl-2H-pyrimidine?
The canonical SMILES for 2-chloro-1,6-dimethyl-2H-pyrimidine is CC1=CC=NC(Cl)N1C.
What is the InChIKey of 2-chloro-1,6-dimethyl-2H-pyrimidine?
The InChIKey is JVSPAUIBXJOJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-5-3-4-8-6(7)9(5)2/h3-4,6H,1-2H3.
What are the key properties of 2-chloro-1,6-dimethyl-2H-pyrimidine?
2-chloro-1,6-dimethyl-2H-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 2-chloro-1,6-dimethyl-2H-pyrimidine is sourced from PubChem (CID 154025256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).