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

C22H25F4N7O4 — CID 158088503

IUPAC(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one
SMILESCc1nocc1CN1CC[C@H](C(F)(F)F)n2c1nc(N1CCOC[C@H]1C)c(F)c2=O.O=c1ccnc[nH]1
InChIInChI=1S/C18H21F4N5O3.C4H4N2O/c1-10-8-29-6-5-26(10)15-14(19)16(28)27-13(18(20,21)22)3-4-25(17(27)23-15)7-12-9-30-24-11(12)2;7-4-1-2-5-3-6-4/h9-10,13H,3-8H2,1-2H3;1-3H,(H,5,6,7)/t10-,13-;/m1./s1
InChIKeyFNUOABWQZYGCRH-HTMVYDOJSA-N
MW527.48 g/mol
LogP2.19
Rot. Bonds3

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

(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one (PubChem CID 158088503) has the molecular formula C22H25F4N7O4 and a molecular weight of 527.48 g/mol. Its IUPAC name is (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one.

Molecular Properties

Compound Name(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one
PubChem CID158088503
Molecular FormulaC22H25F4N7O4
Molecular Weight527.48 g/mol
Exact Mass527.19
IUPAC Name(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one
SMILESCc1nocc1CN1CC[C@H](C(F)(F)F)n2c1nc(N1CCOC[C@H]1C)c(F)c2=O.O=c1ccnc[nH]1
InChIInChI=1S/C18H21F4N5O3.C4H4N2O/c1-10-8-29-6-5-26(10)15-14(19)16(28)27-13(18(20,21)22)3-4-25(17(27)23-15)7-12-9-30-24-11(12)2;7-4-1-2-5-3-6-4/h9-10,13H,3-8H2,1-2H3;1-3H,(H,5,6,7)/t10-,13-;/m1./s1
InChIKeyFNUOABWQZYGCRH-HTMVYDOJSA-N
XLogP2.19
TPSA122.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one?
The IUPAC name of (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one (CID 158088503) is (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one.
What is the SMILES notation for (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one?
The canonical SMILES for (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one is Cc1nocc1CN1CC[C@H](C(F)(F)F)n2c1nc(N1CCOC[C@H]1C)c(F)c2=O.O=c1ccnc[nH]1.
What is the InChIKey of (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one?
The InChIKey is FNUOABWQZYGCRH-HTMVYDOJSA-N. The full InChI is InChI=1S/C18H21F4N5O3.C4H4N2O/c1-10-8-29-6-5-26(10)15-14(19)16(28)27-13(18(20,21)22)3-4-25(17(27)23-15)7-12-9-30-24-11(12)2;7-4-1-2-5-3-6-4/h9-10,13H,3-8H2,1-2H3;1-3H,(H,5,6,7)/t10-,13-;/m1./s1.
What are the key properties of (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one?
(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one has a molecular weight of 527.48 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-4-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one is sourced from PubChem (CID 158088503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).