7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H20ClN3O2 — CID 95586169

IUPAC7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC(C)(C)O1
InChIInChI=1S/C16H20ClN3O2/c1-11-7-19(10-16(2,3)22-11)9-13-6-15(21)20-8-12(17)4-5-14(20)18-13/h4-6,8,11H,7,9-10H2,1-3H3/t11-/m0/s1
InChIKeyUETJPJCXUBRDHX-NSHDSACASA-N
MW321.81 g/mol
LogP2.35
Rot. Bonds2

About 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 95586169) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID95586169
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC(C)(C)O1
InChIInChI=1S/C16H20ClN3O2/c1-11-7-19(10-16(2,3)22-11)9-13-6-15(21)20-8-12(17)4-5-14(20)18-13/h4-6,8,11H,7,9-10H2,1-3H3/t11-/m0/s1
InChIKeyUETJPJCXUBRDHX-NSHDSACASA-N
XLogP2.35
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-methyl-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 48633888
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55627437
7-chloro-2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146082591
2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119907105
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 62063255
2-[[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 118788271
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
2-[[(3S,5R)-3-amino-5-hydroxypiperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 154920609
7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 95586169) is 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC(C)(C)O1.
What is the InChIKey of 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UETJPJCXUBRDHX-NSHDSACASA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11-7-19(10-16(2,3)22-11)9-13-6-15(21)20-8-12(17)4-5-14(20)18-13/h4-6,8,11H,7,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 321.81 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95586169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).