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

C10H16BrN3O — CID 136768847

IUPAC5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-4-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyVFUATHLCYLUATF-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.38
Rot. Bonds4

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

5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one (PubChem CID 136768847) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
PubChem CID136768847
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-4-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyVFUATHLCYLUATF-UHFFFAOYSA-N
XLogP2.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701824
5-bromo-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
5-bromo-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723586
5-bromo-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723597
5-bromo-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750468
5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752196
4-[(1-amino-3-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136757203
5-bromo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757526
4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136768844
4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768846
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136794228
5-bromo-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794538

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one (CID 136768847) is 5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one is CCC(C)(C)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The InChIKey is VFUATHLCYLUATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one has a molecular weight of 274.16 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136768847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).