5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione

C12H12BrN3O2 — CID 115114709

IUPAC5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione
SMILESNCc1cn(Cc2ccccc2Br)c(=O)[nH]c1=O
InChIInChI=1S/C12H12BrN3O2/c13-10-4-2-1-3-8(10)6-16-7-9(5-14)11(17)15-12(16)18/h1-4,7H,5-6,14H2,(H,15,17,18)
InChIKeyVPLNLEHXFCRDRZ-UHFFFAOYSA-N
MW310.15 g/mol
LogP0.81
Rot. Bonds3

About 5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione

5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 115114709) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione
PubChem CID115114709
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione
SMILESNCc1cn(Cc2ccccc2Br)c(=O)[nH]c1=O
InChIInChI=1S/C12H12BrN3O2/c13-10-4-2-1-3-8(10)6-16-7-9(5-14)11(17)15-12(16)18/h1-4,7H,5-6,14H2,(H,15,17,18)
InChIKeyVPLNLEHXFCRDRZ-UHFFFAOYSA-N
XLogP0.81
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 62102931
5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 60665584
1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112600325
1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63557584
1-(1-benzothiophen-3-ylmethyl)-5-bromopyrimidine-2,4-dione
CID 63779093
5-bromo-1-(quinolin-4-ylmethyl)pyrimidine-2,4-dione
CID 79240448
1-[(3-bromophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328937
1-[(4-amino-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329706
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329734
1-benzyl-5-butylpyrimidine-2,4-dione
CID 71028668
2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]acetic acid
CID 115461186
5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
CID 115114602

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione (CID 115114709) is 5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione is NCc1cn(Cc2ccccc2Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is VPLNLEHXFCRDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-10-4-2-1-3-8(10)6-16-7-9(5-14)11(17)15-12(16)18/h1-4,7H,5-6,14H2,(H,15,17,18).
What are the key properties of 5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione?
5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 310.15 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 115114709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).