4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine

C8H9ClF2N2O — CID 158375600

IUPAC4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1OCC(C)(F)F
InChIInChI=1S/C8H9ClF2N2O/c1-5-6(9)12-4-13-7(5)14-3-8(2,10)11/h4H,3H2,1-2H3
InChIKeyGVDNODSWYVGDCS-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.47
Rot. Bonds3

About 4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine

4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine (PubChem CID 158375600) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is 4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine
PubChem CID158375600
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1OCC(C)(F)F
InChIInChI=1S/C8H9ClF2N2O/c1-5-6(9)12-4-13-7(5)14-3-8(2,10)11/h4H,3H2,1-2H3
InChIKeyGVDNODSWYVGDCS-UHFFFAOYSA-N
XLogP2.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 118498160
2-[(2-Methylpropan-2-yl)oxy]-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282357
2-Propan-2-yloxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282358
2-Chloro-4-ethoxy-5-methylpyrimidine
CID 14874945
4,6-Diethoxy-5-methylpyrimidine
CID 60096139
4-Chloro-6-[2,2-bis(trifluoromethyl)propoxy]pyrimidine
CID 17979083
4-Chloro-5-fluoro-6-methoxypyrimidine
CID 18736671
4-Chloro-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 21478866
4-(2-Butynyloxy)-5-fluoro-6-chloropyrimidine
CID 22599717
5-Methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
CID 23198178
4-Fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
CID 58439251
2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
CID 58467956

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine (CID 158375600) is 4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine is Cc1c(Cl)ncnc1OCC(C)(F)F.
What is the InChIKey of 4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine?
The InChIKey is GVDNODSWYVGDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-5-6(9)12-4-13-7(5)14-3-8(2,10)11/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine?
4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine has a molecular weight of 222.62 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine is sourced from PubChem (CID 158375600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).