7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one

C13H10BrN5O — CID 146673900

IUPAC7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(NCc3cccnc3)nc(Br)cn12
InChIInChI=1S/C13H10BrN5O/c14-10-8-19-11(20)3-5-16-13(19)12(18-10)17-7-9-2-1-4-15-6-9/h1-6,8H,7H2,(H,17,18)
InChIKeyWKBWXJSDEYWHPP-UHFFFAOYSA-N
MW332.16 g/mol
LogP1.86
Rot. Bonds3

About 7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one

7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 146673900) has the molecular formula C13H10BrN5O and a molecular weight of 332.16 g/mol. Its IUPAC name is 7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one
PubChem CID146673900
Molecular FormulaC13H10BrN5O
Molecular Weight332.16 g/mol
Exact Mass331.01
IUPAC Name7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(NCc3cccnc3)nc(Br)cn12
InChIInChI=1S/C13H10BrN5O/c14-10-8-19-11(20)3-5-16-13(19)12(18-10)17-7-9-2-1-4-15-6-9/h1-6,8H,7H2,(H,17,18)
InChIKeyWKBWXJSDEYWHPP-UHFFFAOYSA-N
XLogP1.86
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 20814323
6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 59263750
3-benzyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 142876884
6-N-ethyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80773393
5-(aminomethyl)-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 16661043
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 87529176
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate
CID 11385612
3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79531942
6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 10452536
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 140906921

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one (CID 146673900) is 7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one is O=c1ccnc2c(NCc3cccnc3)nc(Br)cn12.
What is the InChIKey of 7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is WKBWXJSDEYWHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5O/c14-10-8-19-11(20)3-5-16-13(19)12(18-10)17-7-9-2-1-4-15-6-9/h1-6,8H,7H2,(H,17,18).
What are the key properties of 7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one?
7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 332.16 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146673900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).