6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one

C9H7ClF2N4O — CID 114582317

IUPAC6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1Cc1nccn1C(F)F
InChIInChI=1S/C9H7ClF2N4O/c10-6-3-8(17)15(5-14-6)4-7-13-1-2-16(7)9(11)12/h1-3,5,9H,4H2
InChIKeyUQHBQRYWGMPXGY-UHFFFAOYSA-N
MW260.63 g/mol
LogP1.54
Rot. Bonds3

About 6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one

6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one (PubChem CID 114582317) has the molecular formula C9H7ClF2N4O and a molecular weight of 260.63 g/mol. Its IUPAC name is 6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one
PubChem CID114582317
Molecular FormulaC9H7ClF2N4O
Molecular Weight260.63 g/mol
Exact Mass260.03
IUPAC Name6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1Cc1nccn1C(F)F
InChIInChI=1S/C9H7ClF2N4O/c10-6-3-8(17)15(5-14-6)4-7-13-1-2-16(7)9(11)12/h1-3,5,9H,4H2
InChIKeyUQHBQRYWGMPXGY-UHFFFAOYSA-N
XLogP1.54
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.63
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one (CID 114582317) is 6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one is O=c1cc(Cl)ncn1Cc1nccn1C(F)F.
What is the InChIKey of 6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one?
The InChIKey is UQHBQRYWGMPXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N4O/c10-6-3-8(17)15(5-14-6)4-7-13-1-2-16(7)9(11)12/h1-3,5,9H,4H2.
What are the key properties of 6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one?
6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one has a molecular weight of 260.63 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 114582317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).