2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one

C19H19FN4O3 — CID 51049988

IUPAC2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one
SMILESCC1(C)OCCn2c1nc(-c1cn(Cc3ccc(F)cc3)cn1)c(O)c2=O
InChIInChI=1S/C19H19FN4O3/c1-19(2)18-22-15(16(25)17(26)24(18)7-8-27-19)14-10-23(11-21-14)9-12-3-5-13(20)6-4-12/h3-6,10-11,25H,7-9H2,1-2H3
InChIKeyYFUBWAVKOWWLCT-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one

2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one (PubChem CID 51049988) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one
PubChem CID51049988
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one
SMILESCC1(C)OCCn2c1nc(-c1cn(Cc3ccc(F)cc3)cn1)c(O)c2=O
InChIInChI=1S/C19H19FN4O3/c1-19(2)18-22-15(16(25)17(26)24(18)7-8-27-19)14-10-23(11-21-14)9-12-3-5-13(20)6-4-12/h3-6,10-11,25H,7-9H2,1-2H3
InChIKeyYFUBWAVKOWWLCT-UHFFFAOYSA-N
XLogP2.27
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one (CID 51049988) is 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one is CC1(C)OCCn2c1nc(-c1cn(Cc3ccc(F)cc3)cn1)c(O)c2=O.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one?
The InChIKey is YFUBWAVKOWWLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-19(2)18-22-15(16(25)17(26)24(18)7-8-27-19)14-10-23(11-21-14)9-12-3-5-13(20)6-4-12/h3-6,10-11,25H,7-9H2,1-2H3.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one?
2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one has a molecular weight of 370.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 51049988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).