N'-(pyrimidin-2-ylamino)propanimidamide

C7H11N5 — CID 140562434

IUPACN'-(pyrimidin-2-ylamino)propanimidamide
SMILESCC/C(N)=N/Nc1ncccn1
InChIInChI=1S/C7H11N5/c1-2-6(8)11-12-7-9-4-3-5-10-7/h3-5H,2H2,1H3,(H2,8,11)(H,9,10,12)
InChIKeyFLYASPJGFUWSMB-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.57
Rot. Bonds3

About N'-(pyrimidin-2-ylamino)propanimidamide

N'-(pyrimidin-2-ylamino)propanimidamide (PubChem CID 140562434) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is N'-(pyrimidin-2-ylamino)propanimidamide.

Molecular Properties

Compound NameN'-(pyrimidin-2-ylamino)propanimidamide
PubChem CID140562434
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC NameN'-(pyrimidin-2-ylamino)propanimidamide
SMILESCC/C(N)=N/Nc1ncccn1
InChIInChI=1S/C7H11N5/c1-2-6(8)11-12-7-9-4-3-5-10-7/h3-5H,2H2,1H3,(H2,8,11)(H,9,10,12)
InChIKeyFLYASPJGFUWSMB-UHFFFAOYSA-N
XLogP0.57
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-(pyrimidin-2-ylamino)propanimidamide?
The IUPAC name of N'-(pyrimidin-2-ylamino)propanimidamide (CID 140562434) is N'-(pyrimidin-2-ylamino)propanimidamide.
What is the SMILES notation for N'-(pyrimidin-2-ylamino)propanimidamide?
The canonical SMILES for N'-(pyrimidin-2-ylamino)propanimidamide is CC/C(N)=N/Nc1ncccn1.
What is the InChIKey of N'-(pyrimidin-2-ylamino)propanimidamide?
The InChIKey is FLYASPJGFUWSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-2-6(8)11-12-7-9-4-3-5-10-7/h3-5H,2H2,1H3,(H2,8,11)(H,9,10,12).
What are the key properties of N'-(pyrimidin-2-ylamino)propanimidamide?
N'-(pyrimidin-2-ylamino)propanimidamide has a molecular weight of 165.20 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyrimidin-2-ylamino)propanimidamide is sourced from PubChem (CID 140562434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).