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

C8H12BrN3O — CID 136955899

IUPAC5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O/c1-5(2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyKRYVKGONNFFHMA-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.60
Rot. Bonds3

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

5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136955899) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one
PubChem CID136955899
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O/c1-5(2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyKRYVKGONNFFHMA-UHFFFAOYSA-N
XLogP1.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
5-bromo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786688
5-bromo-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956609
5-bromo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957050
5-bromo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957959
5-bromo-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971135
5-methyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136291337
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
5-Bromo-3-[2-methyl-3-(methylamino)propyl]pyrimidin-4-one
CID 66310859
5-bromo-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679989
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
5-bromo-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one (CID 136955899) is 5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one is CC(C)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is KRYVKGONNFFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-5(2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 246.11 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).