5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine

C12H14N4 — CID 114720108

IUPAC5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
SMILESCC1CC1n1cncc1-c1ccc(N)nc1
InChIInChI=1S/C12H14N4/c1-8-4-10(8)16-7-14-6-11(16)9-2-3-12(13)15-5-9/h2-3,5-8,10H,4H2,1H3,(H2,13,15)
InChIKeyVWTCKNLFHZUYSV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.11
Rot. Bonds2

About 5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine

5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114720108) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114720108
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
SMILESCC1CC1n1cncc1-c1ccc(N)nc1
InChIInChI=1S/C12H14N4/c1-8-4-10(8)16-7-14-6-11(16)9-2-3-12(13)15-5-9/h2-3,5-8,10H,4H2,1H3,(H2,13,15)
InChIKeyVWTCKNLFHZUYSV-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine (CID 114720108) is 5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine is CC1CC1n1cncc1-c1ccc(N)nc1.
What is the InChIKey of 5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is VWTCKNLFHZUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-4-10(8)16-7-14-6-11(16)9-2-3-12(13)15-5-9/h2-3,5-8,10H,4H2,1H3,(H2,13,15).
What are the key properties of 5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine?
5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114720108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).