N-hex-1-yn-3-ylpyrimidin-4-amine

C10H13N3 — CID 106231448

IUPACN-hex-1-yn-3-ylpyrimidin-4-amine
SMILESC#CC(CCC)Nc1ccncn1
InChIInChI=1S/C10H13N3/c1-3-5-9(4-2)13-10-6-7-11-8-12-10/h2,6-9H,3,5H2,1H3,(H,11,12,13)
InChIKeyMMTFKQAYOUBZLO-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.69
Rot. Bonds4

About N-hex-1-yn-3-ylpyrimidin-4-amine

N-hex-1-yn-3-ylpyrimidin-4-amine (PubChem CID 106231448) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is N-hex-1-yn-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-ylpyrimidin-4-amine
PubChem CID106231448
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC NameN-hex-1-yn-3-ylpyrimidin-4-amine
SMILESC#CC(CCC)Nc1ccncn1
InChIInChI=1S/C10H13N3/c1-3-5-9(4-2)13-10-6-7-11-8-12-10/h2,6-9H,3,5H2,1H3,(H,11,12,13)
InChIKeyMMTFKQAYOUBZLO-UHFFFAOYSA-N
XLogP1.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-hex-1-yn-3-ylpyrimidin-4-amine?
The IUPAC name of N-hex-1-yn-3-ylpyrimidin-4-amine (CID 106231448) is N-hex-1-yn-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-hex-1-yn-3-ylpyrimidin-4-amine?
The canonical SMILES for N-hex-1-yn-3-ylpyrimidin-4-amine is C#CC(CCC)Nc1ccncn1.
What is the InChIKey of N-hex-1-yn-3-ylpyrimidin-4-amine?
The InChIKey is MMTFKQAYOUBZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-5-9(4-2)13-10-6-7-11-8-12-10/h2,6-9H,3,5H2,1H3,(H,11,12,13).
What are the key properties of N-hex-1-yn-3-ylpyrimidin-4-amine?
N-hex-1-yn-3-ylpyrimidin-4-amine has a molecular weight of 175.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-ylpyrimidin-4-amine is sourced from PubChem (CID 106231448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).