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

C23H25FN4O2 — CID 10136140

IUPAC9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(F)ccc1CCN1CC(C)(C)Cn2c1nc(-c1ccncc1)cc2=O
InChIInChI=1S/C23H25FN4O2/c1-23(2)14-27(11-8-17-4-5-18(24)12-20(17)30-3)22-26-19(13-21(29)28(22)15-23)16-6-9-25-10-7-16/h4-7,9-10,12-13H,8,11,14-15H2,1-3H3
InChIKeyUTOMFRHDKHLLPM-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.54
Rot. Bonds5

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

9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10136140) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID10136140
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(F)ccc1CCN1CC(C)(C)Cn2c1nc(-c1ccncc1)cc2=O
InChIInChI=1S/C23H25FN4O2/c1-23(2)14-27(11-8-17-4-5-18(24)12-20(17)30-3)22-26-19(13-21(29)28(22)15-23)16-6-9-25-10-7-16/h4-7,9-10,12-13H,8,11,14-15H2,1-3H3
InChIKeyUTOMFRHDKHLLPM-UHFFFAOYSA-N
XLogP3.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (CID 10136140) is 9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is COc1cc(F)ccc1CCN1CC(C)(C)Cn2c1nc(-c1ccncc1)cc2=O.
What is the InChIKey of 9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is UTOMFRHDKHLLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-23(2)14-27(11-8-17-4-5-18(24)12-20(17)30-3)22-26-19(13-21(29)28(22)15-23)16-6-9-25-10-7-16/h4-7,9-10,12-13H,8,11,14-15H2,1-3H3.
What are the key properties of 9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-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 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10136140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).