7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one

C14H15FN4O2 — CID 89399515

IUPAC7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESCN1CCn2c1cc(OCc1cc(N)cc(F)c1)nc2=O
InChIInChI=1S/C14H15FN4O2/c1-18-2-3-19-13(18)7-12(17-14(19)20)21-8-9-4-10(15)6-11(16)5-9/h4-7H,2-3,8,16H2,1H3
InChIKeySECYYURUSCGILN-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.99
Rot. Bonds3

About 7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one

7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one (PubChem CID 89399515) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
PubChem CID89399515
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESCN1CCn2c1cc(OCc1cc(N)cc(F)c1)nc2=O
InChIInChI=1S/C14H15FN4O2/c1-18-2-3-19-13(18)7-12(17-14(19)20)21-8-9-4-10(15)6-11(16)5-9/h4-7H,2-3,8,16H2,1H3
InChIKeySECYYURUSCGILN-UHFFFAOYSA-N
XLogP0.99
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one (CID 89399515) is 7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one is CN1CCn2c1cc(OCc1cc(N)cc(F)c1)nc2=O.
What is the InChIKey of 7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is SECYYURUSCGILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-18-2-3-19-13(18)7-12(17-14(19)20)21-8-9-4-10(15)6-11(16)5-9/h4-7H,2-3,8,16H2,1H3.
What are the key properties of 7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 290.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 89399515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).