N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine

C12H13FN4 — CID 114254403

IUPACN-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine
SMILESCc1cn(C2CC2)c(Nc2cncc(F)c2)n1
InChIInChI=1S/C12H13FN4/c1-8-7-17(11-2-3-11)12(15-8)16-10-4-9(13)5-14-6-10/h4-7,11H,2-3H2,1H3,(H,15,16)
InChIKeyCVIIYGYYSLTTLZ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.80
Rot. Bonds3

About N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine

N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine (PubChem CID 114254403) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine
PubChem CID114254403
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC NameN-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine
SMILESCc1cn(C2CC2)c(Nc2cncc(F)c2)n1
InChIInChI=1S/C12H13FN4/c1-8-7-17(11-2-3-11)12(15-8)16-10-4-9(13)5-14-6-10/h4-7,11H,2-3H2,1H3,(H,15,16)
InChIKeyCVIIYGYYSLTTLZ-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine?
The IUPAC name of N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine (CID 114254403) is N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine.
What is the SMILES notation for N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine?
The canonical SMILES for N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine is Cc1cn(C2CC2)c(Nc2cncc(F)c2)n1.
What is the InChIKey of N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine?
The InChIKey is CVIIYGYYSLTTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-7-17(11-2-3-11)12(15-8)16-10-4-9(13)5-14-6-10/h4-7,11H,2-3H2,1H3,(H,15,16).
What are the key properties of N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine?
N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine has a molecular weight of 232.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine is sourced from PubChem (CID 114254403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).