2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine

C14H16N4 — CID 62220582

IUPAC2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(-c2cccnc2)c1N
InChIInChI=1S/C14H16N4/c1-2-8-18-13(15)12(11-4-3-7-16-9-11)17-14(18)10-5-6-10/h2-4,7,9-10H,1,5-6,8,15H2
InChIKeyRCTYNCGNTCSLNA-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.59
Rot. Bonds4

About 2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine

2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine (PubChem CID 62220582) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
PubChem CID62220582
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(-c2cccnc2)c1N
InChIInChI=1S/C14H16N4/c1-2-8-18-13(15)12(11-4-3-7-16-9-11)17-14(18)10-5-6-10/h2-4,7,9-10H,1,5-6,8,15H2
InChIKeyRCTYNCGNTCSLNA-UHFFFAOYSA-N
XLogP2.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine (CID 62220582) is 2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine is C=CCn1c(C2CC2)nc(-c2cccnc2)c1N.
What is the InChIKey of 2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine?
The InChIKey is RCTYNCGNTCSLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-8-18-13(15)12(11-4-3-7-16-9-11)17-14(18)10-5-6-10/h2-4,7,9-10H,1,5-6,8,15H2.
What are the key properties of 2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine?
2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine has a molecular weight of 240.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine is sourced from PubChem (CID 62220582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).