4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one

C10H14IN3O2 — CID 102740477

IUPAC4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CCOc1nc[nH]c(=O)c1I)C1CC1
InChIInChI=1S/C10H14IN3O2/c1-14(7-2-3-7)4-5-16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyYAWGSQCJHOWSQJ-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.85
Rot. Bonds5

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

4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one (PubChem CID 102740477) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
PubChem CID102740477
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CCOc1nc[nH]c(=O)c1I)C1CC1
InChIInChI=1S/C10H14IN3O2/c1-14(7-2-3-7)4-5-16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyYAWGSQCJHOWSQJ-UHFFFAOYSA-N
XLogP0.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.85
H-Bond Donors ≤ 51
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-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740468
5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740474
5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741495
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 102741498
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741500
4-[2-[di(propan-2-yl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 113616108
5-iodo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586305
5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586315
4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114586334
5-iodo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586343
5-iodo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586388
5-iodo-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586397

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one (CID 102740477) is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one is CN(CCOc1nc[nH]c(=O)c1I)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is YAWGSQCJHOWSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-14(7-2-3-7)4-5-16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one?
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 102740477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).