2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C18H19F3N4O2 — CID 123788091

IUPAC2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)nc2n1CCC(C(F)(F)F)N2c1ccccc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)14-6-7-24-16(26)12-15(23-8-10-27-11-9-23)22-17(24)25(14)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyXNILEVWOERSYSZ-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.55
Rot. Bonds2

About 2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 123788091) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID123788091
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)nc2n1CCC(C(F)(F)F)N2c1ccccc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)14-6-7-24-16(26)12-15(23-8-10-27-11-9-23)22-17(24)25(14)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyXNILEVWOERSYSZ-UHFFFAOYSA-N
XLogP2.55
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 123788091) is 2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCOCC2)nc2n1CCC(C(F)(F)F)N2c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is XNILEVWOERSYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)14-6-7-24-16(26)12-15(23-8-10-27-11-9-23)22-17(24)25(14)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2.
What are the key properties of 2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 380.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123788091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).