4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine

C15H24N4 — CID 167485688

IUPAC4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine
SMILESCC(C)C1(N)CC(N)=NC=C1C#CCN1CCCC1
InChIInChI=1S/C15H24N4/c1-12(2)15(17)10-14(16)18-11-13(15)6-5-9-19-7-3-4-8-19/h11-12H,3-4,7-10,17H2,1-2H3,(H2,16,18)
InChIKeyVRSVFXMGBSSEPK-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.08
Rot. Bonds2

About 4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine

4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine (PubChem CID 167485688) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine
PubChem CID167485688
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine
SMILESCC(C)C1(N)CC(N)=NC=C1C#CCN1CCCC1
InChIInChI=1S/C15H24N4/c1-12(2)15(17)10-14(16)18-11-13(15)6-5-9-19-7-3-4-8-19/h11-12H,3-4,7-10,17H2,1-2H3,(H2,16,18)
InChIKeyVRSVFXMGBSSEPK-UHFFFAOYSA-N
XLogP1.08
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine?
The IUPAC name of 4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine (CID 167485688) is 4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine is CC(C)C1(N)CC(N)=NC=C1C#CCN1CCCC1.
What is the InChIKey of 4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine?
The InChIKey is VRSVFXMGBSSEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12(2)15(17)10-14(16)18-11-13(15)6-5-9-19-7-3-4-8-19/h11-12H,3-4,7-10,17H2,1-2H3,(H2,16,18).
What are the key properties of 4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine?
4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-(3-pyrrolidin-1-ylprop-1-ynyl)-3H-pyridine-2,4-diamine is sourced from PubChem (CID 167485688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).