4-chloro-2-(difluoromethyl)-6-methylpyrimidine

C6H5ClF2N2 — CID 146082559

IUPAC4-chloro-2-(difluoromethyl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(C(F)F)n1
InChIInChI=1S/C6H5ClF2N2/c1-3-2-4(7)11-6(10-3)5(8)9/h2,5H,1H3
InChIKeyFAOHFLKTRKGDDO-UHFFFAOYSA-N
MW178.57 g/mol
LogP2.38
Rot. Bonds1

About 4-chloro-2-(difluoromethyl)-6-methylpyrimidine

4-chloro-2-(difluoromethyl)-6-methylpyrimidine (PubChem CID 146082559) has the molecular formula C6H5ClF2N2 and a molecular weight of 178.57 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-6-methylpyrimidine
PubChem CID146082559
Molecular FormulaC6H5ClF2N2
Molecular Weight178.57 g/mol
Exact Mass178.01
IUPAC Name4-chloro-2-(difluoromethyl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(C(F)F)n1
InChIInChI=1S/C6H5ClF2N2/c1-3-2-4(7)11-6(10-3)5(8)9/h2,5H,1H3
InChIKeyFAOHFLKTRKGDDO-UHFFFAOYSA-N
XLogP2.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.57
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-4-chloro-6-methylpyrimidine
CID 62313063
2-(difluoromethyl)-4-methoxy-6-methylpyrimidine
CID 176691048
N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine
CID 169247529
4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine
CID 89394919
2-chloro-4,6-dimethyl(213C,115N)pyridine
CID 130416231
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methylpyridine
CID 119013902
4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine
CID 170730428
4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine
CID 53385565
2-chloro-6-methyl-4-propan-2-ylpyridine
CID 19867375
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine
CID 107502259
4-chloro-2-(difluoromethyl)pyrimidine
CID 118833547
2-(1-chloroethyl)-4,6-dimethylpyrimidine
CID 80655731

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-6-methylpyrimidine (CID 146082559) is 4-chloro-2-(difluoromethyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-6-methylpyrimidine is Cc1cc(Cl)nc(C(F)F)n1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-6-methylpyrimidine?
The InChIKey is FAOHFLKTRKGDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2/c1-3-2-4(7)11-6(10-3)5(8)9/h2,5H,1H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-6-methylpyrimidine?
4-chloro-2-(difluoromethyl)-6-methylpyrimidine has a molecular weight of 178.57 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-6-methylpyrimidine is sourced from PubChem (CID 146082559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).