9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C19H22F4N6O3 — CID 123462322

IUPAC9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1nc2n(c(=O)c1F)CCC(C(F)(F)F)N2Cc1noc(C2CC2)n1
InChIInChI=1S/C19H22F4N6O3/c1-10-9-31-7-6-27(10)15-14(20)17(30)28-5-4-12(19(21,22)23)29(18(28)25-15)8-13-24-16(32-26-13)11-2-3-11/h10-12H,2-9H2,1H3
InChIKeyRJTNMWJWGKBBPR-UHFFFAOYSA-N
MW458.42 g/mol
LogP2.21
Rot. Bonds4

About 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 123462322) has the molecular formula C19H22F4N6O3 and a molecular weight of 458.42 g/mol. Its IUPAC name is 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID123462322
Molecular FormulaC19H22F4N6O3
Molecular Weight458.42 g/mol
Exact Mass458.17
IUPAC Name9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1nc2n(c(=O)c1F)CCC(C(F)(F)F)N2Cc1noc(C2CC2)n1
InChIInChI=1S/C19H22F4N6O3/c1-10-9-31-7-6-27(10)15-14(20)17(30)28-5-4-12(19(21,22)23)29(18(28)25-15)8-13-24-16(32-26-13)11-2-3-11/h10-12H,2-9H2,1H3
InChIKeyRJTNMWJWGKBBPR-UHFFFAOYSA-N
XLogP2.21
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 123462322) is 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1COCCN1c1nc2n(c(=O)c1F)CCC(C(F)(F)F)N2Cc1noc(C2CC2)n1.
What is the InChIKey of 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is RJTNMWJWGKBBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N6O3/c1-10-9-31-7-6-27(10)15-14(20)17(30)28-5-4-12(19(21,22)23)29(18(28)25-15)8-13-24-16(32-26-13)11-2-3-11/h10-12H,2-9H2,1H3.
What are the key properties of 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 458.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123462322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).