4-chloro-1,6-dimethyl-2-methylidenepyrimidine

C7H9ClN2 — CID 123459081

IUPAC4-chloro-1,6-dimethyl-2-methylidenepyrimidine
SMILESC=C1N=C(Cl)C=C(C)N1C
InChIInChI=1S/C7H9ClN2/c1-5-4-7(8)9-6(2)10(5)3/h4H,2H2,1,3H3
InChIKeyMLLZABYOJMURAL-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.94
Rot. Bonds

About 4-chloro-1,6-dimethyl-2-methylidenepyrimidine

4-chloro-1,6-dimethyl-2-methylidenepyrimidine (PubChem CID 123459081) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 4-chloro-1,6-dimethyl-2-methylidenepyrimidine.

Molecular Properties

Compound Name4-chloro-1,6-dimethyl-2-methylidenepyrimidine
PubChem CID123459081
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name4-chloro-1,6-dimethyl-2-methylidenepyrimidine
SMILESC=C1N=C(Cl)C=C(C)N1C
InChIInChI=1S/C7H9ClN2/c1-5-4-7(8)9-6(2)10(5)3/h4H,2H2,1,3H3
InChIKeyMLLZABYOJMURAL-UHFFFAOYSA-N
XLogP1.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-1,6-dimethyl-2-methylidenepyrimidine 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

4-Methyl-3-cyano-2,6-dichloropyrimidine
CID 129833323
1,6-Dimethyl-2-methylidenepyrimidine
CID 58719906
4-Chloro-6-methyl-1,2-dihydropyrimidin-2-amine
CID 89575683
4-Chloro-6-ethyl-1-methyl-2-methylidenepyrimidine
CID 90990494
1,6-dimethyl-2H-pyrimidine
CID 137427369
2-chloro-1,6-dimethyl-2H-pyrimidine
CID 154025256
1,4-dichloro-6-methyl-2H-pyrimidine
CID 160585366
(2E)-4-chloro-2-ethylidene-1-prop-1-en-2-ylpyrimidine
CID 172234937
4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine
CID 174572368
4-Chloro-3,6-dimethyl-1,2-dihydropyrimidin-3-ium
CID 88629597

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,6-dimethyl-2-methylidenepyrimidine?
The IUPAC name of 4-chloro-1,6-dimethyl-2-methylidenepyrimidine (CID 123459081) is 4-chloro-1,6-dimethyl-2-methylidenepyrimidine.
What is the SMILES notation for 4-chloro-1,6-dimethyl-2-methylidenepyrimidine?
The canonical SMILES for 4-chloro-1,6-dimethyl-2-methylidenepyrimidine is C=C1N=C(Cl)C=C(C)N1C.
What is the InChIKey of 4-chloro-1,6-dimethyl-2-methylidenepyrimidine?
The InChIKey is MLLZABYOJMURAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5-4-7(8)9-6(2)10(5)3/h4H,2H2,1,3H3.
What are the key properties of 4-chloro-1,6-dimethyl-2-methylidenepyrimidine?
4-chloro-1,6-dimethyl-2-methylidenepyrimidine has a molecular weight of 156.62 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,6-dimethyl-2-methylidenepyrimidine is sourced from PubChem (CID 123459081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).