1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione

C12H12BrN3O2 — CID 114380613

IUPAC1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2ccc(Br)cc2N)c(=O)[nH]c1=O
InChIInChI=1S/C12H12BrN3O2/c1-7-5-16(12(18)15-11(7)17)6-8-2-3-9(13)4-10(8)14/h2-5H,6,14H2,1H3,(H,15,17,18)
InChIKeyGULNVWIESFPWRH-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.24
Rot. Bonds2

About 1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione

1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 114380613) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID114380613
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2ccc(Br)cc2N)c(=O)[nH]c1=O
InChIInChI=1S/C12H12BrN3O2/c1-7-5-16(12(18)15-11(7)17)6-8-2-3-9(13)4-10(8)14/h2-5H,6,14H2,1H3,(H,15,17,18)
InChIKeyGULNVWIESFPWRH-UHFFFAOYSA-N
XLogP1.24
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidine-2,4-dione
CID 81117146
1-[(3-bromo-5-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione
CID 79670135
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329734
4-methyl-3-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 143566289
ethane;4-methyl-3-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 143566288
1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79784796
1-[(2-amino-4-chlorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130605
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one
CID 79356172
2-[(2-amino-4-bromophenyl)methyl]-6-methylpyridazin-3-one
CID 114380575
1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63557584
5-methyl-1-[[4-[tris[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]phenyl]methyl]pyrimidine-2,4-dione
CID 139204388
1-[(2-methoxy-5-nitrophenyl)methyl]-5-methylpyrimidine-2,4-dione
CID 60734739

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione (CID 114380613) is 1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(Cc2ccc(Br)cc2N)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is GULNVWIESFPWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-7-5-16(12(18)15-11(7)17)6-8-2-3-9(13)4-10(8)14/h2-5H,6,14H2,1H3,(H,15,17,18).
What are the key properties of 1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione?
1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 310.15 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 114380613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).