9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C21H21FN4O2 — CID 23132643

IUPAC9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1CCn2c(nc(-c3ccncc3)cc2=O)N1CC(O)c1cccc(F)c1
InChIInChI=1S/C21H21FN4O2/c1-14-7-10-25-20(28)12-18(15-5-8-23-9-6-15)24-21(25)26(14)13-19(27)16-3-2-4-17(22)11-16/h2-6,8-9,11-12,14,19,27H,7,10,13H2,1H3
InChIKeySPZPXCGDOOSOSX-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.78
Rot. Bonds4

About 9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 23132643) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID23132643
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1CCn2c(nc(-c3ccncc3)cc2=O)N1CC(O)c1cccc(F)c1
InChIInChI=1S/C21H21FN4O2/c1-14-7-10-25-20(28)12-18(15-5-8-23-9-6-15)24-21(25)26(14)13-19(27)16-3-2-4-17(22)11-16/h2-6,8-9,11-12,14,19,27H,7,10,13H2,1H3
InChIKeySPZPXCGDOOSOSX-UHFFFAOYSA-N
XLogP2.78
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 56589672
CID 56589672
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
2-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798887
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 57869963
6-(2-chloro-4-pyridinyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methylpyrimidin-4-one
CID 57877690
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 57877765
6-(3-chloro-4-pyridinyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methylpyrimidin-4-one
CID 57877786
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
N2,N2-dimethyl-N1-(4-((2S)-4-(3-methyl-4-oxo-3,4-dihydro-6-(3-fluoropyridin-4-yl)pyrimidin-2-yl)-morpholin-2-yl)phenyl)glycinamide
CID 11698414

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 23132643) is 9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1CCn2c(nc(-c3ccncc3)cc2=O)N1CC(O)c1cccc(F)c1.
What is the InChIKey of 9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is SPZPXCGDOOSOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-7-10-25-20(28)12-18(15-5-8-23-9-6-15)24-21(25)26(14)13-19(27)16-3-2-4-17(22)11-16/h2-6,8-9,11-12,14,19,27H,7,10,13H2,1H3.
What are the key properties of 9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 380.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-fluorophenyl)-2-hydroxyethyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 23132643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).