6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one

C14H16FN3O2 — CID 58122331

IUPAC6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCN1CC(O)C(=O)N2C1=NCCC2c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2/c1-17-8-12(19)13(20)18-11(6-7-16-14(17)18)9-2-4-10(15)5-3-9/h2-5,11-12,19H,6-8H2,1H3
InChIKeyMRLZMZWGXSZGJE-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.76
Rot. Bonds1

About 6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one

6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 58122331) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID58122331
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCN1CC(O)C(=O)N2C1=NCCC2c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2/c1-17-8-12(19)13(20)18-11(6-7-16-14(17)18)9-2-4-10(15)5-3-9/h2-5,11-12,19H,6-8H2,1H3
InChIKeyMRLZMZWGXSZGJE-UHFFFAOYSA-N
XLogP0.76
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one (CID 58122331) is 6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one is CN1CC(O)C(=O)N2C1=NCCC2c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is MRLZMZWGXSZGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-17-8-12(19)13(20)18-11(6-7-16-14(17)18)9-2-4-10(15)5-3-9/h2-5,11-12,19H,6-8H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one?
6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 277.30 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-hydroxy-1-methyl-3,6,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58122331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).