3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine

C12H16N4 — CID 62464912

IUPAC3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCC(C)c1nccn1Cc1cccnc1N
InChIInChI=1S/C12H16N4/c1-9(2)12-15-6-7-16(12)8-10-4-3-5-14-11(10)13/h3-7,9H,8H2,1-2H3,(H2,13,14)
InChIKeySSNLJSWMVVWOGD-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.03
Rot. Bonds3

About 3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine

3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine (PubChem CID 62464912) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
PubChem CID62464912
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCC(C)c1nccn1Cc1cccnc1N
InChIInChI=1S/C12H16N4/c1-9(2)12-15-6-7-16(12)8-10-4-3-5-14-11(10)13/h3-7,9H,8H2,1-2H3,(H2,13,14)
InChIKeySSNLJSWMVVWOGD-UHFFFAOYSA-N
XLogP2.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine (CID 62464912) is 3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine is CC(C)c1nccn1Cc1cccnc1N.
What is the InChIKey of 3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is SSNLJSWMVVWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(2)12-15-6-7-16(12)8-10-4-3-5-14-11(10)13/h3-7,9H,8H2,1-2H3,(H2,13,14).
What are the key properties of 3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62464912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).