2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide

C15H19BrN4O2 — CID 9433131

IUPAC2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C15H19BrN4O2/c1-3-17-14(21)10-19(4-2)9-12-7-15(22)20-8-11(16)5-6-13(20)18-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyKJGBTDZFHWEQDB-UHFFFAOYSA-N
MW367.25 g/mol
LogP1.41
Rot. Bonds6

About 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide

2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 9433131) has the molecular formula C15H19BrN4O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide
PubChem CID9433131
Molecular FormulaC15H19BrN4O2
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C15H19BrN4O2/c1-3-17-14(21)10-19(4-2)9-12-7-15(22)20-8-11(16)5-6-13(20)18-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyKJGBTDZFHWEQDB-UHFFFAOYSA-N
XLogP1.41
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-2-[[ethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60685461
3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 60988188
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
CID 43631418
2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030884
7-bromo-2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 115631705
2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 48935568
N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 18199923
3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 61009236
7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9028174
7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8797101

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide (CID 9433131) is 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1cc(=O)n2cc(Br)ccc2n1.
What is the InChIKey of 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is KJGBTDZFHWEQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2/c1-3-17-14(21)10-19(4-2)9-12-7-15(22)20-8-11(16)5-6-13(20)18-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide?
2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 367.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 9433131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).