5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

C11H17N3O2S — CID 136964265

IUPAC5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCC(SC)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2S/c1-16-9-10(12-6-13-11(9)15)14-7-3-4-8(5-7)17-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyQCJAYENEXQYNKA-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.47
Rot. Bonds4

About 5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136964265) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136964265
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCC(SC)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2S/c1-16-9-10(12-6-13-11(9)15)14-7-3-4-8(5-7)17-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyQCJAYENEXQYNKA-UHFFFAOYSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (CID 136964265) is 5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is COc1c(NC2CCC(SC)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QCJAYENEXQYNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-9-10(12-6-13-11(9)15)14-7-3-4-8(5-7)17-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 255.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136964265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).