N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C9H15BrN4O3S — CID 136956702

IUPACN-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc[nH]c(=O)c1Br)NS(C)(=O)=O
InChIInChI=1S/C9H15BrN4O3S/c1-9(2,14-18(3,16)17)4-11-7-6(10)8(15)13-5-12-7/h5,14H,4H2,1-3H3,(H2,11,12,13,15)
InChIKeyNKPHIHNCALTCNX-UHFFFAOYSA-N
MW339.22 g/mol
LogP0.27
Rot. Bonds5

About N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 136956702) has the molecular formula C9H15BrN4O3S and a molecular weight of 339.22 g/mol. Its IUPAC name is N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID136956702
Molecular FormulaC9H15BrN4O3S
Molecular Weight339.22 g/mol
Exact Mass338.00
IUPAC NameN-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc[nH]c(=O)c1Br)NS(C)(=O)=O
InChIInChI=1S/C9H15BrN4O3S/c1-9(2,14-18(3,16)17)4-11-7-6(10)8(15)13-5-12-7/h5,14H,4H2,1-3H3,(H2,11,12,13,15)
InChIKeyNKPHIHNCALTCNX-UHFFFAOYSA-N
XLogP0.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 136956702) is N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1nc[nH]c(=O)c1Br)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is NKPHIHNCALTCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O3S/c1-9(2,14-18(3,16)17)4-11-7-6(10)8(15)13-5-12-7/h5,14H,4H2,1-3H3,(H2,11,12,13,15).
What are the key properties of N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 339.22 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 136956702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).