5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione

C13H15BrN4O2 — CID 104797220

IUPAC5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(Cc2cncc(Br)c2)c1=O
InChIInChI=1S/C13H15BrN4O2/c1-2-3-17-8-11(15)12(19)18(13(17)20)7-9-4-10(14)6-16-5-9/h4-6,8H,2-3,7,15H2,1H3
InChIKeyLRQSNAFFSLEBNB-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.21
Rot. Bonds4

About 5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione

5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 104797220) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID104797220
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(Cc2cncc(Br)c2)c1=O
InChIInChI=1S/C13H15BrN4O2/c1-2-3-17-8-11(15)12(19)18(13(17)20)7-9-4-10(14)6-16-5-9/h4-6,8H,2-3,7,15H2,1H3
InChIKeyLRQSNAFFSLEBNB-UHFFFAOYSA-N
XLogP1.21
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-propyl-3-(2-pyridin-3-ylethyl)pyrimidine-2,4-dione
CID 63800812
5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63799243
5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione
CID 63800991
5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione
CID 106724722
5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione
CID 63800468
(5-bromo-3-pyridinyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 104808454
5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 79709992
5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 115513897
4-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)butanenitrile
CID 55238426
ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate
CID 55240716
5-amino-3-[(4-chlorophenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63800452
3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid
CID 79623788

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione (CID 104797220) is 5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1cc(N)c(=O)n(Cc2cncc(Br)c2)c1=O.
What is the InChIKey of 5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is LRQSNAFFSLEBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-2-3-17-8-11(15)12(19)18(13(17)20)7-9-4-10(14)6-16-5-9/h4-6,8H,2-3,7,15H2,1H3.
What are the key properties of 5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 339.19 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 104797220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).