4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

C11H13BrN4OS — CID 106383012

IUPAC4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)c1nc(Br)cc(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C11H13BrN4OS/c1-6(2)10-15-8(12)3-9(16-10)13-4-7-5-18-11(17)14-7/h3,5-6H,4H2,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyXBVWLISMJORCIW-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.72
Rot. Bonds4

About 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383012) has the molecular formula C11H13BrN4OS and a molecular weight of 329.22 g/mol. Its IUPAC name is 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106383012
Molecular FormulaC11H13BrN4OS
Molecular Weight329.22 g/mol
Exact Mass328.00
IUPAC Name4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)c1nc(Br)cc(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C11H13BrN4OS/c1-6(2)10-15-8(12)3-9(16-10)13-4-7-5-18-11(17)14-7/h3,5-6H,4H2,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyXBVWLISMJORCIW-UHFFFAOYSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181854
4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384287
4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384244
4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379398
4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381976
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384246
4-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384277
6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione
CID 138057865
6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 106194655
6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 106421682
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106383012) is 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC(C)c1nc(Br)cc(NCc2csc(=O)[nH]2)n1.
What is the InChIKey of 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XBVWLISMJORCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4OS/c1-6(2)10-15-8(12)3-9(16-10)13-4-7-5-18-11(17)14-7/h3,5-6H,4H2,1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 329.22 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).