4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one

C9H15BrN4O — CID 136978383

IUPAC4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCC(C)C(CN)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H15BrN4O/c1-5(2)6(3-11)14-8-7(10)9(15)13-4-12-8/h4-6H,3,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyCUNGHUDJDOVRCA-UHFFFAOYSA-N
MW275.15 g/mol
LogP0.93
Rot. Bonds4

About 4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one

4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136978383) has the molecular formula C9H15BrN4O and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
PubChem CID136978383
Molecular FormulaC9H15BrN4O
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCC(C)C(CN)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H15BrN4O/c1-5(2)6(3-11)14-8-7(10)9(15)13-4-12-8/h4-6H,3,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyCUNGHUDJDOVRCA-UHFFFAOYSA-N
XLogP0.93
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one
CID 136955873
5-bromo-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885
5-bromo-4-(2-chloropentan-3-ylamino)-1H-pyrimidin-6-one
CID 137267563
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
4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
CID 136978155
5-bromo-4-(4-methoxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136956853
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
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
CID 136956505
5-bromo-4-(1-chloropentan-3-ylamino)-1H-pyrimidin-6-one
CID 136972120
4-[(4-amino-2,2-dimethylbutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136857340

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one (CID 136978383) is 4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one is CC(C)C(CN)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is CUNGHUDJDOVRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O/c1-5(2)6(3-11)14-8-7(10)9(15)13-4-12-8/h4-6H,3,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one?
4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 275.15 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136978383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).