6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate

C5H8BrN3O3 — CID 2769426

IUPAC6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate
SMILESCn1c(N)c(Br)c(=O)[nH]c1=O.O
InChIInChI=1S/C5H6BrN3O2.H2O/c1-9-3(7)2(6)4(10)8-5(9)11;/h7H2,1H3,(H,8,10,11);1H2
InChIKeyZVBUYPJDGOVJMB-UHFFFAOYSA-N
MW238.04 g/mol
LogP-1.41
Rot. Bonds

About 6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate

6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate (PubChem CID 2769426) has the molecular formula C5H8BrN3O3 and a molecular weight of 238.04 g/mol. Its IUPAC name is 6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate.

Molecular Properties

Compound Name6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate
PubChem CID2769426
Molecular FormulaC5H8BrN3O3
Molecular Weight238.04 g/mol
Exact Mass236.97
IUPAC Name6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate
SMILESCn1c(N)c(Br)c(=O)[nH]c1=O.O
InChIInChI=1S/C5H6BrN3O2.H2O/c1-9-3(7)2(6)4(10)8-5(9)11;/h7H2,1H3,(H,8,10,11);1H2
InChIKeyZVBUYPJDGOVJMB-UHFFFAOYSA-N
XLogP-1.41
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-bromouracil
CID 73276
Mls002693778
CID 251705
6-Amino-5-bromo-1-ethylpyrimidine-2,4(1H,3H)-dione
CID 1446096
6-Amino-5-bromo-1-butyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2386152
6-Amino-5-bromo-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 255445
6-Amino-5-bromo-1-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2432599
6-Amino-5-bromo-1-propylpyrimidine-2,4-dione
CID 2384422
1-Acetyl-5-bromopyrimidine-2,4-dione
CID 122185233
6-Amino-5-bromo-3-methyl-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2461624
5-Bromo-3-methylpyrimidine-2,4(1h,3h)-dione
CID 253940
5-bromo-1-ethylpyrimidine-2,4(1H,3H)-dione
CID 638638
6-Amino-5-bromo-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 251706

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate?
The IUPAC name of 6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate (CID 2769426) is 6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate.
What is the SMILES notation for 6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate?
The canonical SMILES for 6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate is Cn1c(N)c(Br)c(=O)[nH]c1=O.O.
What is the InChIKey of 6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate?
The InChIKey is ZVBUYPJDGOVJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O2.H2O/c1-9-3(7)2(6)4(10)8-5(9)11;/h7H2,1H3,(H,8,10,11);1H2.
What are the key properties of 6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate?
6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate has a molecular weight of 238.04 g/mol, XLogP of -1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-1-methylpyrimidine-2,4-dione;hydrate is sourced from PubChem (CID 2769426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).