5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

C10H14BrN3OS — CID 136811840

IUPAC5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCCC1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3OS/c1-16-7-4-2-3-6(7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyAZHKAWVWMGNOKS-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.23
Rot. Bonds3

About 5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136811840) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is 5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136811840
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCCC1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3OS/c1-16-7-4-2-3-6(7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyAZHKAWVWMGNOKS-UHFFFAOYSA-N
XLogP2.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (CID 136811840) is 5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is CSC1CCCC1Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is AZHKAWVWMGNOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c1-16-7-4-2-3-6(7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 304.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136811840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).