5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one

C10H16IN3O3 — CID 136954299

IUPAC5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O3/c1-16-5-6-17-4-2-3-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyGKESYAMBFFZQIJ-UHFFFAOYSA-N
MW353.16 g/mol
LogP0.84
Rot. Bonds8

About 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one

5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136954299) has the molecular formula C10H16IN3O3 and a molecular weight of 353.16 g/mol. Its IUPAC name is 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136954299
Molecular FormulaC10H16IN3O3
Molecular Weight353.16 g/mol
Exact Mass353.02
IUPAC Name5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O3/c1-16-5-6-17-4-2-3-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyGKESYAMBFFZQIJ-UHFFFAOYSA-N
XLogP0.84
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 50.84
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'}

Analyze 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136689230
5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136689231
4-[3-(2-chloroethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730521
4-[3-(2-hydroxyethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730528
4-[3-(2-aminoethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730540
4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764971
5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764975
5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764978
4-(2,3-dimethoxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136852195
5-iodo-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883381
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136896841
4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136954501

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136954299) is 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is COCCOCCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is GKESYAMBFFZQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O3/c1-16-5-6-17-4-2-3-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 353.16 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136954299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).