(5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one

C14H18N4O — CID 175900169

IUPAC(5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CNCC2=CN3CC=CN=C3C=C2)N1
InChIInChI=1S/C14H18N4O/c19-14-5-3-12(17-14)9-15-8-11-2-4-13-16-6-1-7-18(13)10-11/h1-2,4,6,10,12,15H,3,5,7-9H2,(H,17,19)/t12-/m0/s1
InChIKeyJLKAIWIBPDDFAA-LBPRGKRZSA-N
MW258.32 g/mol
LogP0.54
Rot. Bonds4

About (5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one

(5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one (PubChem CID 175900169) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one
PubChem CID175900169
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CNCC2=CN3CC=CN=C3C=C2)N1
InChIInChI=1S/C14H18N4O/c19-14-5-3-12(17-14)9-15-8-11-2-4-13-16-6-1-7-18(13)10-11/h1-2,4,6,10,12,15H,3,5,7-9H2,(H,17,19)/t12-/m0/s1
InChIKeyJLKAIWIBPDDFAA-LBPRGKRZSA-N
XLogP0.54
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one (CID 175900169) is (5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one is O=C1CC[C@@H](CNCC2=CN3CC=CN=C3C=C2)N1.
What is the InChIKey of (5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one?
The InChIKey is JLKAIWIBPDDFAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14-5-3-12(17-14)9-15-8-11-2-4-13-16-6-1-7-18(13)10-11/h1-2,4,6,10,12,15H,3,5,7-9H2,(H,17,19)/t12-/m0/s1.
What are the key properties of (5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one?
(5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 175900169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).