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

C22H24N4O2 — CID 69239252

IUPAC9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CN(C(C)(O)c2ccccc2)c2nc(-c3ccncc3)cc(=O)n2C1
InChIInChI=1S/C22H24N4O2/c1-21(2)14-25-19(27)13-18(16-9-11-23-12-10-16)24-20(25)26(15-21)22(3,28)17-7-5-4-6-8-17/h4-13,28H,14-15H2,1-3H3
InChIKeyRUIUGBLGYPQBMI-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.02
Rot. Bonds3

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

9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 69239252) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID69239252
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CN(C(C)(O)c2ccccc2)c2nc(-c3ccncc3)cc(=O)n2C1
InChIInChI=1S/C22H24N4O2/c1-21(2)14-25-19(27)13-18(16-9-11-23-12-10-16)24-20(25)26(15-21)22(3,28)17-7-5-4-6-8-17/h4-13,28H,14-15H2,1-3H3
InChIKeyRUIUGBLGYPQBMI-UHFFFAOYSA-N
XLogP3.02
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[(1S)-1-hydroxy-1-phenylethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 69239254
9-(2-methoxy-2-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 69223498
N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide
CID 10158939
9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10157834
9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10293927
7,7-dimethyl-9-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl]-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10140890
2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one
CID 69224916
9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10298355
1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
CID 91289713
7,7-dimethyl-9-phenacyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a][1,3,5]triazin-4-one
CID 44595923
1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one
CID 10001055
1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid
CID 69485485

Frequently Asked Questions

What is the IUPAC name of 9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (CID 69239252) is 9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is CC1(C)CN(C(C)(O)c2ccccc2)c2nc(-c3ccncc3)cc(=O)n2C1.
What is the InChIKey of 9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is RUIUGBLGYPQBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-21(2)14-25-19(27)13-18(16-9-11-23-12-10-16)24-20(25)26(15-21)22(3,28)17-7-5-4-6-8-17/h4-13,28H,14-15H2,1-3H3.
What are the key properties of 9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 376.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 69239252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).