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

C12H19N3O2S — CID 136964267

IUPAC4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCSC1CCC(Nc2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H19N3O2S/c1-3-18-9-5-4-8(6-9)15-11-10(17-2)12(16)14-7-13-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyGXTVXUUVSVEDSQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.86
Rot. Bonds5

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

4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136964267) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136964267
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCSC1CCC(Nc2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H19N3O2S/c1-3-18-9-5-4-8(6-9)15-11-10(17-2)12(16)14-7-13-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyGXTVXUUVSVEDSQ-UHFFFAOYSA-N
XLogP1.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136964267) is 4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCSC1CCC(Nc2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is GXTVXUUVSVEDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-18-9-5-4-8(6-9)15-11-10(17-2)12(16)14-7-13-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 269.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136964267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).