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

C19H22F3N5O3 — CID 138525913

IUPAC9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(N2CCC(C(F)(F)F)n3c2nc(N2CCOC[C@H]2C)cc3=O)ccn1
InChIInChI=1S/C19H22F3N5O3/c1-12-11-30-8-7-25(12)15-10-17(28)27-14(19(20,21)22)4-6-26(18(27)24-15)13-3-5-23-16(9-13)29-2/h3,5,9-10,12,14H,4,6-8,11H2,1-2H3/t12-,14?/m1/s1
InChIKeyGBLCJWJAFZBJKP-PUODRLBUSA-N
MW425.41 g/mol
LogP2.52
Rot. Bonds3

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

9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 138525913) has the molecular formula C19H22F3N5O3 and a molecular weight of 425.41 g/mol. Its IUPAC name is 9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID138525913
Molecular FormulaC19H22F3N5O3
Molecular Weight425.41 g/mol
Exact Mass425.17
IUPAC Name9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(N2CCC(C(F)(F)F)n3c2nc(N2CCOC[C@H]2C)cc3=O)ccn1
InChIInChI=1S/C19H22F3N5O3/c1-12-11-30-8-7-25(12)15-10-17(28)27-14(19(20,21)22)4-6-26(18(27)24-15)13-3-5-23-16(9-13)29-2/h3,5,9-10,12,14H,4,6-8,11H2,1-2H3/t12-,14?/m1/s1
InChIKeyGBLCJWJAFZBJKP-PUODRLBUSA-N
XLogP2.52
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

(6R)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-2-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709206
9-(2-cyclopropyl-4-pyridinyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091796
2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118104544
2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 138525961
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091396
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091485
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091705
9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091644
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091363
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091522
(6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091781
2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091459

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 138525913) is 9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is COc1cc(N2CCC(C(F)(F)F)n3c2nc(N2CCOC[C@H]2C)cc3=O)ccn1.
What is the InChIKey of 9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is GBLCJWJAFZBJKP-PUODRLBUSA-N. The full InChI is InChI=1S/C19H22F3N5O3/c1-12-11-30-8-7-25(12)15-10-17(28)27-14(19(20,21)22)4-6-26(18(27)24-15)13-3-5-23-16(9-13)29-2/h3,5,9-10,12,14H,4,6-8,11H2,1-2H3/t12-,14?/m1/s1.
What are the key properties of 9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 425.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 138525913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).