4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine

C6H4Cl2F2N2 — CID 89394919

IUPAC4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C(F)F)nc1Cl
InChIInChI=1S/C6H4Cl2F2N2/c1-2-3(7)11-6(5(9)10)12-4(2)8/h5H,1H3
InChIKeyCTHHRDXWOJPADL-UHFFFAOYSA-N
MW213.01 g/mol
LogP3.03
Rot. Bonds1

About 4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine

4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine (PubChem CID 89394919) has the molecular formula C6H4Cl2F2N2 and a molecular weight of 213.01 g/mol. Its IUPAC name is 4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine
PubChem CID89394919
Molecular FormulaC6H4Cl2F2N2
Molecular Weight213.01 g/mol
Exact Mass211.97
IUPAC Name4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C(F)F)nc1Cl
InChIInChI=1S/C6H4Cl2F2N2/c1-2-3(7)11-6(5(9)10)12-4(2)8/h5H,1H3
InChIKeyCTHHRDXWOJPADL-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(difluoromethyl)-6-methylpyrimidine
CID 146082559
4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine
CID 171716703
4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163275475
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline
CID 114589887
4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine
CID 58035237
4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline
CID 114590631
8-bromo-4-chloro-2-(difluoromethyl)quinazoline
CID 114590784
6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline
CID 114590969
6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 83079114
(4,6-dichloro-5-methylpyrimidin-2-yl)methanethiol
CID 122575658
4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
CID 79033231
4-chloro-2,6-difluoro-5-methylpyrimidine
CID 18981191

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine (CID 89394919) is 4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine is Cc1c(Cl)nc(C(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine?
The InChIKey is CTHHRDXWOJPADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F2N2/c1-2-3(7)11-6(5(9)10)12-4(2)8/h5H,1H3.
What are the key properties of 4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine?
4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine has a molecular weight of 213.01 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine is sourced from PubChem (CID 89394919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).