3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide

C10H17N5O — CID 76954513

IUPAC3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)Cc1ncccn1
InChIInChI=1S/C10H17N5O/c1-2-15(7-4-9(11)14-16)8-10-12-5-3-6-13-10/h3,5-6,16H,2,4,7-8H2,1H3,(H2,11,14)
InChIKeyZIISYCRINIBMKQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.44
Rot. Bonds6

About 3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide

3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76954513) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76954513
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)Cc1ncccn1
InChIInChI=1S/C10H17N5O/c1-2-15(7-4-9(11)14-16)8-10-12-5-3-6-13-10/h3,5-6,16H,2,4,7-8H2,1H3,(H2,11,14)
InChIKeyZIISYCRINIBMKQ-UHFFFAOYSA-N
XLogP0.44
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.44
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide (CID 76954513) is 3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)Cc1ncccn1.
What is the InChIKey of 3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is ZIISYCRINIBMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-15(7-4-9(11)14-16)8-10-12-5-3-6-13-10/h3,5-6,16H,2,4,7-8H2,1H3,(H2,11,14).
What are the key properties of 3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 223.28 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76954513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).