2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine

C8H7ClF2N2O — CID 86687916

IUPAC2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine
SMILESFC1(F)CC1COc1cnc(Cl)nc1
InChIInChI=1S/C8H7ClF2N2O/c9-7-12-2-6(3-13-7)14-4-5-1-8(5,10)11/h2-3,5H,1,4H2
InChIKeyKASDQXUMVKHQSV-UHFFFAOYSA-N
MW220.61 g/mol
LogP2.16
Rot. Bonds3

About 2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine

2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine (PubChem CID 86687916) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine
PubChem CID86687916
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine
SMILESFC1(F)CC1COc1cnc(Cl)nc1
InChIInChI=1S/C8H7ClF2N2O/c9-7-12-2-6(3-13-7)14-4-5-1-8(5,10)11/h2-3,5H,1,4H2
InChIKeyKASDQXUMVKHQSV-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-methoxypyrimidine
CID 589058
2-Fluoro-5-methoxypyrimidine
CID 581840
2-Chloro-5-(difluoromethoxy)pyrimidine
CID 57476557
2-Chloro-5-(propan-2-yloxy)pyrimidine
CID 58057924
2-Chloro-5-(2,2,2-trifluoroethoxy)pyrimidine
CID 85673229
2-Chloro-5-(trifluoromethoxy)pyrimidine
CID 119014753
5-(Trifluoromethoxy)pyrimidin-2-amine
CID 138532683
2-Chloro-5-(2,2-difluoroethoxy)pyrimidine
CID 155166631
5-(2,2,2-Trifluoroethoxy)pyrimidine
CID 76850142
2-Chloro-5-(prop-2-yn-1-yloxy)pyrimidine
CID 165834537
2-Chloro-5-(chlorodifluoromethoxy)pyrimidine
CID 168486754
5-[(3-Iodo-2-propyn-1-yl)oxy]pyrimidine
CID 12214187

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine?
The IUPAC name of 2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine (CID 86687916) is 2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine is FC1(F)CC1COc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine?
The InChIKey is KASDQXUMVKHQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-7-12-2-6(3-13-7)14-4-5-1-8(5,10)11/h2-3,5H,1,4H2.
What are the key properties of 2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine?
2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine has a molecular weight of 220.61 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,2-difluorocyclopropyl)methoxy]pyrimidine is sourced from PubChem (CID 86687916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).