3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione

C14H16BrN3O2 — CID 63799455

IUPAC3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2c(N)cccc2Br)c1=O
InChIInChI=1S/C14H16BrN3O2/c1-2-7-17-8-6-13(19)18(14(17)20)9-10-11(15)4-3-5-12(10)16/h3-6,8H,2,7,9,16H2,1H3
InChIKeyQFGNIMYDJJDHDL-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.81
Rot. Bonds4

About 3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione

3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63799455) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID63799455
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2c(N)cccc2Br)c1=O
InChIInChI=1S/C14H16BrN3O2/c1-2-7-17-8-6-13(19)18(14(17)20)9-10-11(15)4-3-5-12(10)16/h3-6,8H,2,7,9,16H2,1H3
InChIKeyQFGNIMYDJJDHDL-UHFFFAOYSA-N
XLogP1.81
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2-amino-6-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63799793
3-[(3-bromothiophen-2-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63801388
3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 64770001
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63812060
3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 55239205
1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
CID 63810291
3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
CID 104809272
2-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
CID 63812547
4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
CID 63811248
3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63810238
3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
CID 63811890
3-[(3-bromo-2,6-difluorophenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 106269515

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione (CID 63799455) is 3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2c(N)cccc2Br)c1=O.
What is the InChIKey of 3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is QFGNIMYDJJDHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-7-17-8-6-13(19)18(14(17)20)9-10-11(15)4-3-5-12(10)16/h3-6,8H,2,7,9,16H2,1H3.
What are the key properties of 3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 338.21 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63799455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).