4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one

C10H14IN3O2 — CID 136758195

IUPAC4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2I)C1CO
InChIInChI=1S/C10H14IN3O2/c1-6-2-3-14(7(6)4-15)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyFOEWWOIYVGBNTM-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.58
Rot. Bonds2

About 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one

4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136758195) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136758195
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2I)C1CO
InChIInChI=1S/C10H14IN3O2/c1-6-2-3-14(7(6)4-15)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyFOEWWOIYVGBNTM-UHFFFAOYSA-N
XLogP0.58
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.58
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

4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136880702
5-iodo-4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979010
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136971525
4-(3-amino-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136978258
5-iodo-4-(2,3,5-trimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136971668
4-[4-(bromomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136971982
4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957758
4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136977760
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008213
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136971343
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 137010515
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 137012742

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one (CID 136758195) is 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one is CC1CCN(c2nc[nH]c(=O)c2I)C1CO.
What is the InChIKey of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is FOEWWOIYVGBNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-6-2-3-14(7(6)4-15)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16).
What are the key properties of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136758195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).