5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C11H16BrN3OS — CID 136762608

IUPAC5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2nc[nH]c(=O)c2Br)CCCC1
InChIInChI=1S/C11H16BrN3OS/c1-17-11(4-2-3-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyXUCUHTDJZDJMIM-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.62
Rot. Bonds4

About 5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762608) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762608
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2nc[nH]c(=O)c2Br)CCCC1
InChIInChI=1S/C11H16BrN3OS/c1-17-11(4-2-3-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyXUCUHTDJZDJMIM-UHFFFAOYSA-N
XLogP2.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one
CID 114791238
5-bromo-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723586
5-bromo-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762591
5-bromo-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762599
5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136762603
4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136762607
5-bromo-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762619
5-bromo-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778329
5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778333
5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136811840
5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136811849
5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867386

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136762608) is 5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one is CSC1(CNc2nc[nH]c(=O)c2Br)CCCC1.
What is the InChIKey of 5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is XUCUHTDJZDJMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-17-11(4-2-3-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 318.24 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).