4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine

C7H6ClF3N2 — CID 130115566

IUPAC4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(CCl)cc(C(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N2/c1-4-12-5(3-8)2-6(13-4)7(9,10)11/h2H,3H2,1H3
InChIKeyYJVRPLAUSQCXMZ-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.54
Rot. Bonds1

About 4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine

4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 130115566) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID130115566
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(CCl)cc(C(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N2/c1-4-12-5(3-8)2-6(13-4)7(9,10)11/h2H,3H2,1H3
InChIKeyYJVRPLAUSQCXMZ-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine
CID 91926144
2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane
CID 145468613
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171993956
3-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyridine
CID 59834815
4-chloro-2-ethyl-6-(trifluoromethyl)pyridine
CID 172992269
4-tert-butyl-2,6-bis(chloromethyl)pyridine
CID 176736672
(Z)-3,3,3-trifluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]prop-1-en-2-ol
CID 138756342
3-(chloromethyl)-4-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082120
(6-chloro-2-methylpyrimidin-4-yl)methanamine
CID 83480049
4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106659304
6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130112786
2-ethyl-4,6-bis(trifluoromethyl)pyridine
CID 133094723

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine (CID 130115566) is 4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine is Cc1nc(CCl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is YJVRPLAUSQCXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c1-4-12-5(3-8)2-6(13-4)7(9,10)11/h2H,3H2,1H3.
What are the key properties of 4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine?
4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 210.59 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 130115566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).