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

C9H12IN3O2 — CID 137269982

IUPAC4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCC2O)c1I
InChIInChI=1S/C9H12IN3O2/c10-7-8(11-4-12-9(7)15)13-5-2-1-3-6(5)14/h4-6,14H,1-3H2,(H2,11,12,13,15)
InChIKeyUGFTVPJFXRDWDI-UHFFFAOYSA-N
MW321.12 g/mol
LogP0.70
Rot. Bonds2

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

4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 137269982) has the molecular formula C9H12IN3O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is 4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID137269982
Molecular FormulaC9H12IN3O2
Molecular Weight321.12 g/mol
Exact Mass321.00
IUPAC Name4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCC2O)c1I
InChIInChI=1S/C9H12IN3O2/c10-7-8(11-4-12-9(7)15)13-5-2-1-3-6(5)14/h4-6,14H,1-3H2,(H2,11,12,13,15)
InChIKeyUGFTVPJFXRDWDI-UHFFFAOYSA-N
XLogP0.70
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 50.70
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

5-chloro-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136975353
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956847
4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857219
4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136977567
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
5-iodo-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978824
N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136956133
5-chloro-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746838
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136975443
5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879289

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 137269982) is 4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCCC2O)c1I.
What is the InChIKey of 4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UGFTVPJFXRDWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2/c10-7-8(11-4-12-9(7)15)13-5-2-1-3-6(5)14/h4-6,14H,1-3H2,(H2,11,12,13,15).
What are the key properties of 4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 321.12 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 137269982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).