1-prop-2-ynyl-2H-pyrimidin-2-amine

C7H9N3 — CID 150625412

IUPAC1-prop-2-ynyl-2H-pyrimidin-2-amine
SMILESC#CCN1C=CC=NC1N
InChIInChI=1S/C7H9N3/c1-2-5-10-6-3-4-9-7(10)8/h1,3-4,6-7H,5,8H2
InChIKeyIWTXUIFEIXBYBC-UHFFFAOYSA-N
MW135.17 g/mol
LogP-0.24
Rot. Bonds1

About 1-prop-2-ynyl-2H-pyrimidin-2-amine

1-prop-2-ynyl-2H-pyrimidin-2-amine (PubChem CID 150625412) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-prop-2-ynyl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-prop-2-ynyl-2H-pyrimidin-2-amine
PubChem CID150625412
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1-prop-2-ynyl-2H-pyrimidin-2-amine
SMILESC#CCN1C=CC=NC1N
InChIInChI=1S/C7H9N3/c1-2-5-10-6-3-4-9-7(10)8/h1,3-4,6-7H,5,8H2
InChIKeyIWTXUIFEIXBYBC-UHFFFAOYSA-N
XLogP-0.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-0.24
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 1-prop-2-ynyl-2H-pyrimidin-2-amine?
The IUPAC name of 1-prop-2-ynyl-2H-pyrimidin-2-amine (CID 150625412) is 1-prop-2-ynyl-2H-pyrimidin-2-amine.
What is the SMILES notation for 1-prop-2-ynyl-2H-pyrimidin-2-amine?
The canonical SMILES for 1-prop-2-ynyl-2H-pyrimidin-2-amine is C#CCN1C=CC=NC1N.
What is the InChIKey of 1-prop-2-ynyl-2H-pyrimidin-2-amine?
The InChIKey is IWTXUIFEIXBYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-5-10-6-3-4-9-7(10)8/h1,3-4,6-7H,5,8H2.
What are the key properties of 1-prop-2-ynyl-2H-pyrimidin-2-amine?
1-prop-2-ynyl-2H-pyrimidin-2-amine has a molecular weight of 135.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-2H-pyrimidin-2-amine is sourced from PubChem (CID 150625412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).