5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one

C9H14BrN3O — CID 136955873

IUPAC5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)C(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-5(2)6(3)13-8-7(10)9(14)12-4-11-8/h4-6H,1-3H3,(H2,11,12,13,14)
InChIKeyWCNNUIBWOPCUMC-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.99
Rot. Bonds3

About 5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one

5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136955873) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136955873
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)C(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-5(2)6(3)13-8-7(10)9(14)12-4-11-8/h4-6H,1-3H3,(H2,11,12,13,14)
InChIKeyWCNNUIBWOPCUMC-UHFFFAOYSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885
4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136978383
5-bromo-4-(4-bromopentan-2-ylamino)-1H-pyrimidin-6-one
CID 136972073
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956087
5-bromo-4-(4-methoxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136956853
5-bromo-4-(2-chloropentan-3-ylamino)-1H-pyrimidin-6-one
CID 137267563
5-bromo-4-[(1-chloro-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
CID 136971890
5-bromo-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
CID 136956305
4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
CID 136978155
5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974899
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
CID 136956505
5-bromo-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975262

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one (CID 136955873) is 5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one is CC(C)C(C)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is WCNNUIBWOPCUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-5(2)6(3)13-8-7(10)9(14)12-4-11-8/h4-6H,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 260.13 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).