7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H16N4O2 — CID 172859377

IUPAC7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC[C@@H](CNCc2ccc3nccc(=O)n3c2)N1
InChIInChI=1S/C14H16N4O2/c19-13-4-2-11(17-13)8-15-7-10-1-3-12-16-6-5-14(20)18(12)9-10/h1,3,5-6,9,11,15H,2,4,7-8H2,(H,17,19)/t11-/m0/s1
InChIKeyZDLRDFCKHAUUTN-NSHDSACASA-N
MW272.31 g/mol
LogP0.06
Rot. Bonds4

About 7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 172859377) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID172859377
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC[C@@H](CNCc2ccc3nccc(=O)n3c2)N1
InChIInChI=1S/C14H16N4O2/c19-13-4-2-11(17-13)8-15-7-10-1-3-12-16-6-5-14(20)18(12)9-10/h1,3,5-6,9,11,15H,2,4,7-8H2,(H,17,19)/t11-/m0/s1
InChIKeyZDLRDFCKHAUUTN-NSHDSACASA-N
XLogP0.06
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 172859377) is 7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C1CC[C@@H](CNCc2ccc3nccc(=O)n3c2)N1.
What is the InChIKey of 7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZDLRDFCKHAUUTN-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13-4-2-11(17-13)8-15-7-10-1-3-12-16-6-5-14(20)18(12)9-10/h1,3,5-6,9,11,15H,2,4,7-8H2,(H,17,19)/t11-/m0/s1.
What are the key properties of 7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 172859377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).