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

C9H14BrN3O — CID 136957232

IUPAC5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-4-9(2,3)13-7-6(10)8(14)12-5-11-7/h5H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyMTVYJFGTVVLVIR-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.13
Rot. Bonds3

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

5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136957232) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136957232
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-4-9(2,3)13-7-6(10)8(14)12-5-11-7/h5H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyMTVYJFGTVVLVIR-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736695
5-bromo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786688
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671882
5-bromo-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734045
4-[(1-amino-3-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136757203
5-bromo-4-[(1-chloro-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757493
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-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852218
5-Bromo-6-(ethylamino)pyrimidin-4(3H)-one
CID 136854287
5-bromo-4-[(2-ethylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136857223
4-[(4-amino-2,2-dimethylbutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136857340

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one (CID 136957232) is 5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one is CCC(C)(C)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is MTVYJFGTVVLVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-4-9(2,3)13-7-6(10)8(14)12-5-11-7/h5H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 260.13 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).