5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one

C9H9BrN4OS — CID 136974472

IUPAC5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1csc(CNc2nc[nH]c(=O)c2Br)n1
InChIInChI=1S/C9H9BrN4OS/c1-5-3-16-6(14-5)2-11-8-7(10)9(15)13-4-12-8/h3-4H,2H2,1H3,(H2,11,12,13,15)
InChIKeyKQFKRPLCKCOKIA-UHFFFAOYSA-N
MW301.17 g/mol
LogP1.91
Rot. Bonds3

About 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974472) has the molecular formula C9H9BrN4OS and a molecular weight of 301.17 g/mol. Its IUPAC name is 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974472
Molecular FormulaC9H9BrN4OS
Molecular Weight301.17 g/mol
Exact Mass299.97
IUPAC Name5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1csc(CNc2nc[nH]c(=O)c2Br)n1
InChIInChI=1S/C9H9BrN4OS/c1-5-3-16-6(14-5)2-11-8-7(10)9(15)13-4-12-8/h3-4H,2H2,1H3,(H2,11,12,13,15)
InChIKeyKQFKRPLCKCOKIA-UHFFFAOYSA-N
XLogP1.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(4-methylthiophen-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136976397
5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975614
5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975409
6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784347
4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
CID 136978155
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136817755
5-bromo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857191
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
CID 115624005
4-(3-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 137008775
5-bromo-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 137011139

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136974472) is 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one is Cc1csc(CNc2nc[nH]c(=O)c2Br)n1.
What is the InChIKey of 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is KQFKRPLCKCOKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4OS/c1-5-3-16-6(14-5)2-11-8-7(10)9(15)13-4-12-8/h3-4H,2H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 301.17 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).