4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine

C14H17N5 — CID 147836016

IUPAC4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine
SMILES[H]/N=C/c1c(-c2cccc(C(C)(C)N)n2)ccnc1N
InChIInChI=1S/C14H17N5/c1-14(2,17)12-5-3-4-11(19-12)9-6-7-18-13(16)10(9)8-15/h3-8,15H,17H2,1-2H3,(H2,16,18)/b15-8+
InChIKeyHSAHMROLOQMEFX-OVCLIPMQSA-N
MW255.32 g/mol
LogP1.92
Rot. Bonds3

About 4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine

4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine (PubChem CID 147836016) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine.

Molecular Properties

Compound Name4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine
PubChem CID147836016
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine
SMILES[H]/N=C/c1c(-c2cccc(C(C)(C)N)n2)ccnc1N
InChIInChI=1S/C14H17N5/c1-14(2,17)12-5-3-4-11(19-12)9-6-7-18-13(16)10(9)8-15/h3-8,15H,17H2,1-2H3,(H2,16,18)/b15-8+
InChIKeyHSAHMROLOQMEFX-OVCLIPMQSA-N
XLogP1.92
TPSA101.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine?
The IUPAC name of 4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine (CID 147836016) is 4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine.
What is the SMILES notation for 4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine?
The canonical SMILES for 4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine is [H]/N=C/c1c(-c2cccc(C(C)(C)N)n2)ccnc1N.
What is the InChIKey of 4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine?
The InChIKey is HSAHMROLOQMEFX-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H17N5/c1-14(2,17)12-5-3-4-11(19-12)9-6-7-18-13(16)10(9)8-15/h3-8,15H,17H2,1-2H3,(H2,16,18)/b15-8+.
What are the key properties of 4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine?
4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine has a molecular weight of 255.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-aminopropan-2-yl)-2-pyridinyl]-3-methanimidoylpyridin-2-amine is sourced from PubChem (CID 147836016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).