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

C20H18ClFN4O — CID 22268204

IUPAC9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)nc2n1CCCN2CCc1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClFN4O/c21-17-12-16(22)3-2-14(17)6-11-25-9-1-10-26-19(27)13-18(24-20(25)26)15-4-7-23-8-5-15/h2-5,7-8,12-13H,1,6,9-11H2
InChIKeyGSSXRYRBPZJSDX-UHFFFAOYSA-N
MW384.84 g/mol
LogP3.55
Rot. Bonds4

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

9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 22268204) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID22268204
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)nc2n1CCCN2CCc1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClFN4O/c21-17-12-16(22)3-2-14(17)6-11-25-9-1-10-26-19(27)13-18(24-20(25)26)15-4-7-23-8-5-15/h2-5,7-8,12-13H,1,6,9-11H2
InChIKeyGSSXRYRBPZJSDX-UHFFFAOYSA-N
XLogP3.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 22268204) is 9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is O=c1cc(-c2ccncc2)nc2n1CCCN2CCc1ccc(F)cc1Cl.
What is the InChIKey of 9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is GSSXRYRBPZJSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-17-12-16(22)3-2-14(17)6-11-25-9-1-10-26-19(27)13-18(24-20(25)26)15-4-7-23-8-5-15/h2-5,7-8,12-13H,1,6,9-11H2.
What are the key properties of 9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 384.84 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 22268204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).