5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one

C9H12BrN3O — CID 136971616

IUPAC5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Br)C1CCC1
InChIInChI=1S/C9H12BrN3O/c1-13(6-3-2-4-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4H2,1H3,(H,11,12,14)
InChIKeyNAKQCUUZVIXUAS-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.52
Rot. Bonds2

About 5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136971616) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136971616
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Br)C1CCC1
InChIInChI=1S/C9H12BrN3O/c1-13(6-3-2-4-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4H2,1H3,(H,11,12,14)
InChIKeyNAKQCUUZVIXUAS-UHFFFAOYSA-N
XLogP1.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786688
5-bromo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957959
5-bromo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971138
5-Bromo-6-[(3,3-difluorocyclobutyl)amino]-3,4-dihydropyrimidin-4-one
CID 164651910
5-bromo-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696641
5-bromo-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752196
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780739
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780755
5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
CID 136800368
5-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827310
5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827322

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one (CID 136971616) is 5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1Br)C1CCC1.
What is the InChIKey of 5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NAKQCUUZVIXUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-13(6-3-2-4-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4H2,1H3,(H,11,12,14).
What are the key properties of 5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 258.12 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136971616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).