4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one

C8H12BrN3O2 — CID 114586457

IUPAC4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one
SMILESCC(C)(N)COc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-8(2,10)3-14-7-5(9)6(13)11-4-12-7/h4H,3,10H2,1-2H3,(H,11,12,13)
InChIKeyNCOIWXDOERRITR-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.65
Rot. Bonds3

About 4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one

4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one (PubChem CID 114586457) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one
PubChem CID114586457
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one
SMILESCC(C)(N)COc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-8(2,10)3-14-7-5(9)6(13)11-4-12-7/h4H,3,10H2,1-2H3,(H,11,12,13)
InChIKeyNCOIWXDOERRITR-UHFFFAOYSA-N
XLogP0.65
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopropoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586369
5-bromo-4-butan-2-yloxy-1H-pyrimidin-6-one
CID 114676255
5-bromo-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one
CID 136931250
5-bromo-4-(3-phenylpropoxy)-1H-pyrimidin-6-one
CID 114676360
4-[(4-amino-2,2-dimethylbutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136857340
5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
CID 114675867
4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
CID 136978155
4-[4-(aminomethyl)-2-methoxyphenoxy]-5-bromo-1H-pyrimidin-6-one
CID 114585934
ethyl 4-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoate
CID 114585754
5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one
CID 136989726
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671882
4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972460

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one (CID 114586457) is 4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one is CC(C)(N)COc1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one?
The InChIKey is NCOIWXDOERRITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-8(2,10)3-14-7-5(9)6(13)11-4-12-7/h4H,3,10H2,1-2H3,(H,11,12,13).
What are the key properties of 4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one?
4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one has a molecular weight of 262.11 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropoxy)-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).