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

C23H24F2N4O2 — CID 10113240

IUPAC3-fluoro-9-[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)c(F)c2=O
InChIInChI=1S/C23H24F2N4O2/c1-23(2)13-28(11-8-15-4-5-17(24)12-18(15)31-3)22-27-20(16-6-9-26-10-7-16)19(25)21(30)29(22)14-23/h4-7,9-10,12H,8,11,13-14H2,1-3H3
InChIKeyPZGIYALXDRJGEL-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.68
Rot. Bonds5

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

3-fluoro-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 10113240) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-fluoro-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 Name3-fluoro-9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID10113240
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name3-fluoro-9-[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)c(F)c2=O
InChIInChI=1S/C23H24F2N4O2/c1-23(2)13-28(11-8-15-4-5-17(24)12-18(15)31-3)22-27-20(16-6-9-26-10-7-16)19(25)21(30)29(22)14-23/h4-7,9-10,12H,8,11,13-14H2,1-3H3
InChIKeyPZGIYALXDRJGEL-UHFFFAOYSA-N
XLogP3.68
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-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 3-fluoro-9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (CID 10113240) is 3-fluoro-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 3-fluoro-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 3-fluoro-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)c(F)c2=O.
What is the InChIKey of 3-fluoro-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 PZGIYALXDRJGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-23(2)13-28(11-8-15-4-5-17(24)12-18(15)31-3)22-27-20(16-6-9-26-10-7-16)19(25)21(30)29(22)14-23/h4-7,9-10,12H,8,11,13-14H2,1-3H3.
What are the key properties of 3-fluoro-9-[2-(4-fluoro-2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
3-fluoro-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 426.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-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 10113240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).