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

C19H22F3N5O2 — CID 118091396

IUPAC(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1ccccn1)[C@H](C(F)(F)F)CC2
InChIInChI=1S/C19H22F3N5O2/c1-13-12-29-9-8-25(13)16-10-17(28)26-7-5-15(19(20,21)22)27(18(26)24-16)11-14-4-2-3-6-23-14/h2-4,6,10,13,15H,5,7-9,11-12H2,1H3/t13-,15+/m1/s1
InChIKeyCJJQQGXDOKZPQJ-HIFRSBDPSA-N
MW409.41 g/mol
LogP2.20
Rot. Bonds3

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

(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091396) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091396
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1ccccn1)[C@H](C(F)(F)F)CC2
InChIInChI=1S/C19H22F3N5O2/c1-13-12-29-9-8-25(13)16-10-17(28)26-7-5-15(19(20,21)22)27(18(26)24-16)11-14-4-2-3-6-23-14/h2-4,6,10,13,15H,5,7-9,11-12H2,1H3/t13-,15+/m1/s1
InChIKeyCJJQQGXDOKZPQJ-HIFRSBDPSA-N
XLogP2.20
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of (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) is (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1ccccn1)[C@H](C(F)(F)F)CC2.
What is the InChIKey of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is CJJQQGXDOKZPQJ-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-13-12-29-9-8-25(13)16-10-17(28)26-7-5-15(19(20,21)22)27(18(26)24-16)11-14-4-2-3-6-23-14/h2-4,6,10,13,15H,5,7-9,11-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 409.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).