4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one

C10H17IN4O2 — CID 136896841

IUPAC4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)CCOCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O2/c1-15(2)4-6-17-5-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeySNEDLXRICLUWJL-UHFFFAOYSA-N
MW352.18 g/mol
LogP0.36
Rot. Bonds7

About 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one

4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136896841) has the molecular formula C10H17IN4O2 and a molecular weight of 352.18 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136896841
Molecular FormulaC10H17IN4O2
Molecular Weight352.18 g/mol
Exact Mass352.04
IUPAC Name4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)CCOCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O2/c1-15(2)4-6-17-5-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeySNEDLXRICLUWJL-UHFFFAOYSA-N
XLogP0.36
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136896833
5-iodo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956678
3-[2-(2-Ethoxyethylamino)ethyl]-5-iodopyrimidin-4-one
CID 66308874
4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114676262
4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114676273
5-iodo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136678162
5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136689231
4-(2,2-dimethoxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136713913
4-[3-(2-aminoethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730540
4-[2-(cyclopropylmethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136764987
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783271
2-[2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805711

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one (CID 136896841) is 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one is CN(C)CCOCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is SNEDLXRICLUWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O2/c1-15(2)4-6-17-5-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one?
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 352.18 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136896841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).