4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one

C10H14IN3O2 — CID 136746823

IUPAC4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCC2CO)c1I
InChIInChI=1S/C10H14IN3O2/c11-8-9(12-5-13-10(8)16)14-7-3-1-2-6(7)4-15/h5-7,15H,1-4H2,(H2,12,13,14,16)
InChIKeyKQVZBCSRRYSGII-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.95
Rot. Bonds3

About 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one

4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136746823) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136746823
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCC2CO)c1I
InChIInChI=1S/C10H14IN3O2/c11-8-9(12-5-13-10(8)16)14-7-3-1-2-6(7)4-15/h5-7,15H,1-4H2,(H2,12,13,14,16)
InChIKeyKQVZBCSRRYSGII-UHFFFAOYSA-N
XLogP0.95
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704099
5-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746821
5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746826
4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746827
5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746828
4-[[2-(hydroxymethyl)cyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136746834
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136847966
4-[(3-hydroxycyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136902407
4-[(1-hydroxy-4-methylpentan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956303
4-[[1-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956565
4-[(2-hydroxycyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956855
4-[(2-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136956858

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one (CID 136746823) is 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCCC2CO)c1I.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is KQVZBCSRRYSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c11-8-9(12-5-13-10(8)16)14-7-3-1-2-6(7)4-15/h5-7,15H,1-4H2,(H2,12,13,14,16).
What are the key properties of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one?
4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136746823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).