4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine

C7H7ClF2N2 — CID 86673376

IUPAC4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1C(C)(F)F
InChIInChI=1S/C7H7ClF2N2/c1-4-5(7(2,9)10)11-3-12-6(4)8/h3H,1-2H3
InChIKeyKKLKBKVVGMOCRO-UHFFFAOYSA-N
MW192.60 g/mol
LogP2.55
Rot. Bonds1

About 4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine

4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine (PubChem CID 86673376) has the molecular formula C7H7ClF2N2 and a molecular weight of 192.60 g/mol. Its IUPAC name is 4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine
PubChem CID86673376
Molecular FormulaC7H7ClF2N2
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1C(C)(F)F
InChIInChI=1S/C7H7ClF2N2/c1-4-5(7(2,9)10)11-3-12-6(4)8/h3H,1-2H3
InChIKeyKKLKBKVVGMOCRO-UHFFFAOYSA-N
XLogP2.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine (CID 86673376) is 4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine is Cc1c(Cl)ncnc1C(C)(F)F.
What is the InChIKey of 4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine?
The InChIKey is KKLKBKVVGMOCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2/c1-4-5(7(2,9)10)11-3-12-6(4)8/h3H,1-2H3.
What are the key properties of 4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine?
4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine has a molecular weight of 192.60 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine is sourced from PubChem (CID 86673376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).