(8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C18H19ClF3N5O2 — CID 78224428

IUPAC(8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2Cc1cncc(Cl)c1
InChIInChI=1S/C18H19ClF3N5O2/c19-13-7-12(9-23-10-13)11-27-14(18(20,21)22)1-2-26-16(28)8-15(24-17(26)27)25-3-5-29-6-4-25/h7-10,14H,1-6,11H2/t14-/m0/s1
InChIKeyDQSGJILOYOFZKP-AWEZNQCLSA-N
MW429.83 g/mol
LogP2.47
Rot. Bonds3

About (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

(8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 78224428) has the molecular formula C18H19ClF3N5O2 and a molecular weight of 429.83 g/mol. Its IUPAC name is (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID78224428
Molecular FormulaC18H19ClF3N5O2
Molecular Weight429.83 g/mol
Exact Mass429.12
IUPAC Name(8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2Cc1cncc(Cl)c1
InChIInChI=1S/C18H19ClF3N5O2/c19-13-7-12(9-23-10-13)11-27-14(18(20,21)22)1-2-26-16(28)8-15(24-17(26)27)25-3-5-29-6-4-25/h7-10,14H,1-6,11H2/t14-/m0/s1
InChIKeyDQSGJILOYOFZKP-AWEZNQCLSA-N
XLogP2.47
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

Sar405
CID 72709209
(8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-[(3R)-3-methylmorpholin-4-ium-4-ylidene]-8-(trifluoromethyl)-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidin-9-ium-4-one
CID 117072097
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(8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-[(3S)-3-methyloxan-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 171358438
(8S,9aS)-9-[(5-chloropyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-3,6,7,8,9,9a-hexahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 138753085
{1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl}(morpholino)methanone
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(S)-2-morpholin-4-yl-9-pyridin-4-yl-8-trifluoromethyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 49854092
1-[(6-chloropyridin-3-yl)methyl]-9-methyl-7-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4,6,8-tetrahydro-2H-pyrimido[1,2-c]pyrimidine
CID 53971771
2-[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1-(4-cyclohexylpiperazin-1-yl)ethanone
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2-morpholin-4-yl-9-pyridin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 68162443
(8S)-9-[(4-chloropyridin-2-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72708971

Frequently Asked Questions

What is the IUPAC name of (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 78224428) is (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2Cc1cncc(Cl)c1.
What is the InChIKey of (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is DQSGJILOYOFZKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19ClF3N5O2/c19-13-7-12(9-23-10-13)11-27-14(18(20,21)22)1-2-26-16(28)8-15(24-17(26)27)25-3-5-29-6-4-25/h7-10,14H,1-6,11H2/t14-/m0/s1.
What are the key properties of (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
(8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 429.83 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 78224428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).