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

C11H16IN3O2 — CID 136905798

IUPAC4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O2/c1-2-8-7(3-4-17-8)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyKDDZSGAIJIBXRM-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.60
Rot. Bonds4

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

4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136905798) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136905798
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O2/c1-2-8-7(3-4-17-8)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyKDDZSGAIJIBXRM-UHFFFAOYSA-N
XLogP1.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.60
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-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704099
5-iodo-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786681
5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905788
4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905792
5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905795
5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905801
4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905802
5-bromo-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905803
5-iodo-4-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136951419
5-iodo-4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956262
5-iodo-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956266
4-[(2-hydroxycyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956855

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136905798) is 4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one is CCC1OCCC1CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is KDDZSGAIJIBXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-2-8-7(3-4-17-8)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136905798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).