4-chloro-5,6-difluoro-2-methoxypyrimidine

C5H3ClF2N2O — CID 54087484

IUPAC4-chloro-5,6-difluoro-2-methoxypyrimidine
SMILESCOc1nc(F)c(F)c(Cl)n1
InChIInChI=1S/C5H3ClF2N2O/c1-11-5-9-3(6)2(7)4(8)10-5/h1H3
InChIKeyMRMPEPPWTNBUSX-UHFFFAOYSA-N
MW180.54 g/mol
LogP1.42
Rot. Bonds1

About 4-chloro-5,6-difluoro-2-methoxypyrimidine

4-chloro-5,6-difluoro-2-methoxypyrimidine (PubChem CID 54087484) has the molecular formula C5H3ClF2N2O and a molecular weight of 180.54 g/mol. Its IUPAC name is 4-chloro-5,6-difluoro-2-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-difluoro-2-methoxypyrimidine
PubChem CID54087484
Molecular FormulaC5H3ClF2N2O
Molecular Weight180.54 g/mol
Exact Mass179.99
IUPAC Name4-chloro-5,6-difluoro-2-methoxypyrimidine
SMILESCOc1nc(F)c(F)c(Cl)n1
InChIInChI=1S/C5H3ClF2N2O/c1-11-5-9-3(6)2(7)4(8)10-5/h1H3
InChIKeyMRMPEPPWTNBUSX-UHFFFAOYSA-N
XLogP1.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.54
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-difluoro-2-methoxypyrimidine?
The IUPAC name of 4-chloro-5,6-difluoro-2-methoxypyrimidine (CID 54087484) is 4-chloro-5,6-difluoro-2-methoxypyrimidine.
What is the SMILES notation for 4-chloro-5,6-difluoro-2-methoxypyrimidine?
The canonical SMILES for 4-chloro-5,6-difluoro-2-methoxypyrimidine is COc1nc(F)c(F)c(Cl)n1.
What is the InChIKey of 4-chloro-5,6-difluoro-2-methoxypyrimidine?
The InChIKey is MRMPEPPWTNBUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2O/c1-11-5-9-3(6)2(7)4(8)10-5/h1H3.
What are the key properties of 4-chloro-5,6-difluoro-2-methoxypyrimidine?
4-chloro-5,6-difluoro-2-methoxypyrimidine has a molecular weight of 180.54 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-difluoro-2-methoxypyrimidine is sourced from PubChem (CID 54087484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).