2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine

C12H10ClFN2 — CID 133188343

IUPAC2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1Cc1cccc(F)c1
InChIInChI=1S/C12H10ClFN2/c1-8-7-15-12(13)16-11(8)6-9-3-2-4-10(14)5-9/h2-5,7H,6H2,1H3
InChIKeyCSDVWIVACZBLSW-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine

2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine (PubChem CID 133188343) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine
PubChem CID133188343
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1Cc1cccc(F)c1
InChIInChI=1S/C12H10ClFN2/c1-8-7-15-12(13)16-11(8)6-9-3-2-4-10(14)5-9/h2-5,7H,6H2,1H3
InChIKeyCSDVWIVACZBLSW-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine 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

2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 12056714
4-[(3-tert-butylphenyl)methyl]-2-chloro-5-methylpyrimidine
CID 152896608
2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
CID 104737123
2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline
CID 67689081
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine
CID 61219333
2-chloro-5-methyl-4-[(3-methylphenyl)methylsulfanyl]pyrimidine
CID 79072442
5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline
CID 157020701
5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole
CID 63108845
6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 165013179
2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725
5-chloro-N-ethyl-2-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 175249083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine (CID 133188343) is 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine is Cc1cnc(Cl)nc1Cc1cccc(F)c1.
What is the InChIKey of 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine?
The InChIKey is CSDVWIVACZBLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-8-7-15-12(13)16-11(8)6-9-3-2-4-10(14)5-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine?
2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine has a molecular weight of 236.68 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine is sourced from PubChem (CID 133188343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).