5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C9H12BrN3O — CID 136852218

IUPAC5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C9H12BrN3O/c1-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyZIKQYJPEWJAVKX-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.74
Rot. Bonds3

About 5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852218) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852218
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C9H12BrN3O/c1-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyZIKQYJPEWJAVKX-UHFFFAOYSA-N
XLogP1.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723597
5-bromo-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762581
5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768847
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136794228
5-bromo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824073
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843231
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843240
5-bromo-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136852207
5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852215
4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852217
5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852228
5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852237

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852218) is 5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZIKQYJPEWJAVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 258.12 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).