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

C11H16IN3OS — CID 136778334

IUPAC4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCSC1CCC(Nc2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C11H16IN3OS/c1-2-17-8-4-3-7(5-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyARFMBCVQLXZJIE-UHFFFAOYSA-N
MW365.24 g/mol
LogP2.46
Rot. Bonds4

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

4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136778334) has the molecular formula C11H16IN3OS and a molecular weight of 365.24 g/mol. Its IUPAC name is 4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136778334
Molecular FormulaC11H16IN3OS
Molecular Weight365.24 g/mol
Exact Mass365.01
IUPAC Name4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCSC1CCC(Nc2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C11H16IN3OS/c1-2-17-8-4-3-7(5-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyARFMBCVQLXZJIE-UHFFFAOYSA-N
XLogP2.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723621
5-iodo-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726595
5-iodo-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730580
5-iodo-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778314
5-iodo-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778324
5-bromo-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778329
5-iodo-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778330
5-chloro-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778332
5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778333
5-chloro-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778335
5-amino-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778336
4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778340

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136778334) is 4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one is CCSC1CCC(Nc2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ARFMBCVQLXZJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3OS/c1-2-17-8-4-3-7(5-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 365.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylsulfanylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136778334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).