4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine

C12H18N6 — CID 66163524

IUPAC4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCC(C)c1nc(-c2cncn2C2CC2)c(N)n1N
InChIInChI=1S/C12H18N6/c1-7(2)12-16-10(11(13)18(12)14)9-5-15-6-17(9)8-3-4-8/h5-8H,3-4,13-14H2,1-2H3
InChIKeyZSGQROBSNLKDFS-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.50
Rot. Bonds3

About 4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine

4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine (PubChem CID 66163524) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine
PubChem CID66163524
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCC(C)c1nc(-c2cncn2C2CC2)c(N)n1N
InChIInChI=1S/C12H18N6/c1-7(2)12-16-10(11(13)18(12)14)9-5-15-6-17(9)8-3-4-8/h5-8H,3-4,13-14H2,1-2H3
InChIKeyZSGQROBSNLKDFS-UHFFFAOYSA-N
XLogP1.50
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine?
The IUPAC name of 4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine (CID 66163524) is 4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine.
What is the SMILES notation for 4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine?
The canonical SMILES for 4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine is CC(C)c1nc(-c2cncn2C2CC2)c(N)n1N.
What is the InChIKey of 4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine?
The InChIKey is ZSGQROBSNLKDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-7(2)12-16-10(11(13)18(12)14)9-5-15-6-17(9)8-3-4-8/h5-8H,3-4,13-14H2,1-2H3.
What are the key properties of 4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine?
4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine is sourced from PubChem (CID 66163524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).