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

C9H14BrN3O — CID 136956282

IUPAC5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-9(2,3)4-11-7-6(10)8(14)13-5-12-7/h5H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyATBXKUSZXYRGBT-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.99
Rot. Bonds2

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

5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136956282) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one
PubChem CID136956282
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-9(2,3)4-11-7-6(10)8(14)13-5-12-7/h5H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyATBXKUSZXYRGBT-UHFFFAOYSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.99
H-Bond Donors ≤ 52
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-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957050
5-bromo-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957581
5-bromo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957959
5-bromo-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136958117
5-bromo-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971135
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-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752196
5-bromo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757526
5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768847
5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136829846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one (CID 136956282) is 5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one is CC(C)(C)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is ATBXKUSZXYRGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-9(2,3)4-11-7-6(10)8(14)13-5-12-7/h5H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 260.13 g/mol, XLogP of 1.99, 2 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-dimethylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).