6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione

C8H12BrN3O2 — CID 83866853

IUPAC6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione
SMILESCC(C)[C@H](N)c1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-3(2)5(10)6-4(9)7(13)12-8(14)11-6/h3,5H,10H2,1-2H3,(H2,11,12,13,14)/t5-/m0/s1
InChIKeyLGIIVWSYXLMTHR-YFKPBYRVSA-N
MW262.11 g/mol
LogP0.48
Rot. Bonds2

About 6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione

6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione (PubChem CID 83866853) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione
PubChem CID83866853
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione
SMILESCC(C)[C@H](N)c1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-3(2)5(10)6-4(9)7(13)12-8(14)11-6/h3,5H,10H2,1-2H3,(H2,11,12,13,14)/t5-/m0/s1
InChIKeyLGIIVWSYXLMTHR-YFKPBYRVSA-N
XLogP0.48
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione (CID 83866853) is 6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione is CC(C)[C@H](N)c1[nH]c(=O)[nH]c(=O)c1Br.
What is the InChIKey of 6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione?
The InChIKey is LGIIVWSYXLMTHR-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-3(2)5(10)6-4(9)7(13)12-8(14)11-6/h3,5H,10H2,1-2H3,(H2,11,12,13,14)/t5-/m0/s1.
What are the key properties of 6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione?
6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione has a molecular weight of 262.11 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83866853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).