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

C19H20F5N5O2 — CID 118091644

IUPAC9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(c1ccc(C(F)F)nc1)C(C(F)(F)F)CC2
InChIInChI=1S/C19H20F5N5O2/c1-11-10-31-7-6-27(11)15-8-16(30)28-5-4-14(19(22,23)24)29(18(28)26-15)12-2-3-13(17(20)21)25-9-12/h2-3,8-9,11,14,17H,4-7,10H2,1H3
InChIKeyPQHHTNZPKRYKDM-UHFFFAOYSA-N
MW445.39 g/mol
LogP3.27
Rot. Bonds3

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

9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091644) has the molecular formula C19H20F5N5O2 and a molecular weight of 445.39 g/mol. Its IUPAC name is 9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091644
Molecular FormulaC19H20F5N5O2
Molecular Weight445.39 g/mol
Exact Mass445.15
IUPAC Name9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(c1ccc(C(F)F)nc1)C(C(F)(F)F)CC2
InChIInChI=1S/C19H20F5N5O2/c1-11-10-31-7-6-27(11)15-8-16(30)28-5-4-14(19(22,23)24)29(18(28)26-15)12-2-3-13(17(20)21)25-9-12/h2-3,8-9,11,14,17H,4-7,10H2,1H3
InChIKeyPQHHTNZPKRYKDM-UHFFFAOYSA-N
XLogP3.27
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-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

Related Compounds

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
9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091371
(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
(8S)-9-[(6-chloro-3-pyridinyl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709951
(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-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091506
(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
(8S)-8-tert-butyl-9-(2-fluoro-2-phenylethyl)-2-[(3R)-3-methylmorpholin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 169032962
2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 123788091
9-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091449
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
(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

Frequently Asked Questions

What is the IUPAC name of 9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 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) is 9-[6-(difluoromethyl)-3-pyridinyl]-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-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1COCCN1c1cc(=O)n2c(n1)N(c1ccc(C(F)F)nc1)C(C(F)(F)F)CC2.
What is the InChIKey of 9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is PQHHTNZPKRYKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5N5O2/c1-11-10-31-7-6-27(11)15-8-16(30)28-5-4-14(19(22,23)24)29(18(28)26-15)12-2-3-13(17(20)21)25-9-12/h2-3,8-9,11,14,17H,4-7,10H2,1H3.
What are the key properties of 9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 445.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).