3-prop-2-enyl-4H-pyrimidin-2-amine

C7H11N3 — CID 68663759

IUPAC3-prop-2-enyl-4H-pyrimidin-2-amine
SMILESC=CCN1CC=CN=C1N
InChIInChI=1S/C7H11N3/c1-2-5-10-6-3-4-9-7(10)8/h2-4H,1,5-6H2,(H2,8,9)
InChIKeyGBZHDQGQPNUAEW-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.32
Rot. Bonds2

About 3-prop-2-enyl-4H-pyrimidin-2-amine

3-prop-2-enyl-4H-pyrimidin-2-amine (PubChem CID 68663759) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-prop-2-enyl-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name3-prop-2-enyl-4H-pyrimidin-2-amine
PubChem CID68663759
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-prop-2-enyl-4H-pyrimidin-2-amine
SMILESC=CCN1CC=CN=C1N
InChIInChI=1S/C7H11N3/c1-2-5-10-6-3-4-9-7(10)8/h2-4H,1,5-6H2,(H2,8,9)
InChIKeyGBZHDQGQPNUAEW-UHFFFAOYSA-N
XLogP0.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-4H-pyrimidin-2-amine?
The IUPAC name of 3-prop-2-enyl-4H-pyrimidin-2-amine (CID 68663759) is 3-prop-2-enyl-4H-pyrimidin-2-amine.
What is the SMILES notation for 3-prop-2-enyl-4H-pyrimidin-2-amine?
The canonical SMILES for 3-prop-2-enyl-4H-pyrimidin-2-amine is C=CCN1CC=CN=C1N.
What is the InChIKey of 3-prop-2-enyl-4H-pyrimidin-2-amine?
The InChIKey is GBZHDQGQPNUAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-5-10-6-3-4-9-7(10)8/h2-4H,1,5-6H2,(H2,8,9).
What are the key properties of 3-prop-2-enyl-4H-pyrimidin-2-amine?
3-prop-2-enyl-4H-pyrimidin-2-amine has a molecular weight of 137.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-4H-pyrimidin-2-amine is sourced from PubChem (CID 68663759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).