2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one

C14H17BrN4O — CID 102977333

IUPAC2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one
SMILESN[C@@H]1CCCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1
InChIInChI=1S/C14H17BrN4O/c15-10-3-4-13-17-12(6-14(20)19(13)7-10)9-18-5-1-2-11(16)8-18/h3-4,6-7,11H,1-2,5,8-9,16H2/t11-/m1/s1
InChIKeyHVRCMVRMPADRPE-LLVKDONJSA-N
MW337.22 g/mol
LogP1.38
Rot. Bonds2

About 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one

2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one (PubChem CID 102977333) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one
PubChem CID102977333
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one
SMILESN[C@@H]1CCCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1
InChIInChI=1S/C14H17BrN4O/c15-10-3-4-13-17-12(6-14(20)19(13)7-10)9-18-5-1-2-11(16)8-18/h3-4,6-7,11H,1-2,5,8-9,16H2/t11-/m1/s1
InChIKeyHVRCMVRMPADRPE-LLVKDONJSA-N
XLogP1.38
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 114681402
7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
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-methylpyrido[1,2-a]pyrimidin-4-one
CID 62063779
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 62063255
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl cyclopropanecarboxylate
CID 7863227
1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910049
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclohexylpropanoate
CID 8815652
2-[[(3S,5R)-3-amino-5-hydroxypiperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 154920609
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one (CID 102977333) is 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one is N[C@@H]1CCCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1.
What is the InChIKey of 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HVRCMVRMPADRPE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17BrN4O/c15-10-3-4-13-17-12(6-14(20)19(13)7-10)9-18-5-1-2-11(16)8-18/h3-4,6-7,11H,1-2,5,8-9,16H2/t11-/m1/s1.
What are the key properties of 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one?
2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one has a molecular weight of 337.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 102977333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).