2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one

C14H17ClN4O — CID 62063255

IUPAC2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
SMILESNCC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1
InChIInChI=1S/C14H17ClN4O/c15-11-1-2-13-17-12(5-14(20)19(13)8-11)9-18-4-3-10(6-16)7-18/h1-2,5,8,10H,3-4,6-7,9,16H2
InChIKeyUZMAJMRZLPMUSN-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.13
Rot. Bonds3

About 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one

2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one (PubChem CID 62063255) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
PubChem CID62063255
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
SMILESNCC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1
InChIInChI=1S/C14H17ClN4O/c15-11-1-2-13-17-12(5-14(20)19(13)8-11)9-18-4-3-10(6-16)7-18/h1-2,5,8,10H,3-4,6-7,9,16H2
InChIKeyUZMAJMRZLPMUSN-UHFFFAOYSA-N
XLogP1.13
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one (CID 62063255) is 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one is NCC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1.
What is the InChIKey of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UZMAJMRZLPMUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c15-11-1-2-13-17-12(5-14(20)19(13)8-11)9-18-4-3-10(6-16)7-18/h1-2,5,8,10H,3-4,6-7,9,16H2.
What are the key properties of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one?
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 292.77 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62063255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).