3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide

C10H16IN5O — CID 66340748

IUPAC3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)c1ncncc1I
InChIInChI=1S/C10H16IN5O/c1-17-5-4-16(3-2-9(12)13)10-8(11)6-14-7-15-10/h6-7H,2-5H2,1H3,(H3,12,13)
InChIKeyXWUYKBXYAUEALX-UHFFFAOYSA-N
MW349.18 g/mol
LogP0.86
Rot. Bonds7

About 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide

3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide (PubChem CID 66340748) has the molecular formula C10H16IN5O and a molecular weight of 349.18 g/mol. Its IUPAC name is 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide
PubChem CID66340748
Molecular FormulaC10H16IN5O
Molecular Weight349.18 g/mol
Exact Mass349.04
IUPAC Name3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)c1ncncc1I
InChIInChI=1S/C10H16IN5O/c1-17-5-4-16(3-2-9(12)13)10-8(11)6-14-7-15-10/h6-7H,2-5H2,1H3,(H3,12,13)
InChIKeyXWUYKBXYAUEALX-UHFFFAOYSA-N
XLogP0.86
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide (CID 66340748) is 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)c1ncncc1I.
What is the InChIKey of 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide?
The InChIKey is XWUYKBXYAUEALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN5O/c1-17-5-4-16(3-2-9(12)13)10-8(11)6-14-7-15-10/h6-7H,2-5H2,1H3,(H3,12,13).
What are the key properties of 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide?
3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide has a molecular weight of 349.18 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodopyrimidin-4-yl)-(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 66340748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).