3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine

C12H14N4 — CID 104823217

IUPAC3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine
SMILESCc1ccc(-c2ncn(C3CC3)c2N)cn1
InChIInChI=1S/C12H14N4/c1-8-2-3-9(6-14-8)11-12(13)16(7-15-11)10-4-5-10/h2-3,6-7,10H,4-5,13H2,1H3
InChIKeyRKFBUBODVCKDFV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.17
Rot. Bonds2

About 3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine

3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine (PubChem CID 104823217) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine
PubChem CID104823217
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine
SMILESCc1ccc(-c2ncn(C3CC3)c2N)cn1
InChIInChI=1S/C12H14N4/c1-8-2-3-9(6-14-8)11-12(13)16(7-15-11)10-4-5-10/h2-3,6-7,10H,4-5,13H2,1H3
InChIKeyRKFBUBODVCKDFV-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine (CID 104823217) is 3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine is Cc1ccc(-c2ncn(C3CC3)c2N)cn1.
What is the InChIKey of 3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine?
The InChIKey is RKFBUBODVCKDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-2-3-9(6-14-8)11-12(13)16(7-15-11)10-4-5-10/h2-3,6-7,10H,4-5,13H2,1H3.
What are the key properties of 3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine?
3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine has a molecular weight of 214.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine is sourced from PubChem (CID 104823217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).