3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one

C23H25FN4O2 — CID 10136139

IUPAC3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CN(CC(C)(O)c2ccccc2)c2nc(-c3ccncc3)c(F)c(=O)n2C1
InChIInChI=1S/C23H25FN4O2/c1-22(2)13-27(15-23(3,30)17-7-5-4-6-8-17)21-26-19(16-9-11-25-12-10-16)18(24)20(29)28(21)14-22/h4-12,30H,13-15H2,1-3H3
InChIKeyFZDHCRBEMRHGEU-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.20
Rot. Bonds4

About 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one

3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10136139) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID10136139
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CN(CC(C)(O)c2ccccc2)c2nc(-c3ccncc3)c(F)c(=O)n2C1
InChIInChI=1S/C23H25FN4O2/c1-22(2)13-27(15-23(3,30)17-7-5-4-6-8-17)21-26-19(16-9-11-25-12-10-16)18(24)20(29)28(21)14-22/h4-12,30H,13-15H2,1-3H3
InChIKeyFZDHCRBEMRHGEU-UHFFFAOYSA-N
XLogP3.20
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[2-(4-Fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10133485
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11176034
2-[(2-Hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595645
6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-(pyrimidin-4-yl)pyridin-2(1H)-one
CID 46871676
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 57877765
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59793923
3-Methyl-2-(2-phenylmorpholin-4-yl)-6-pyridin-4-ylpyrimidin-4-one
CID 60001863
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-one
CID 57877715
US11807646, Example 201
CID 139375475
US11807646, Example 249
CID 146627515
US11807646, Example 245
CID 155682806
6-(3-fluoro-4-pyridinyl)-2-[(2S)-2-[4-(2-hydroxypropan-2-yl)phenyl]morpholin-4-yl]-3-methylpyrimidin-4-one
CID 57877653

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (CID 10136139) is 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is CC1(C)CN(CC(C)(O)c2ccccc2)c2nc(-c3ccncc3)c(F)c(=O)n2C1.
What is the InChIKey of 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is FZDHCRBEMRHGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-22(2)13-27(15-23(3,30)17-7-5-4-6-8-17)21-26-19(16-9-11-25-12-10-16)18(24)20(29)28(21)14-22/h4-12,30H,13-15H2,1-3H3.
What are the key properties of 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 408.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-9-(2-hydroxy-2-phenylpropyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10136139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).