4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine

C10H12FN5 — CID 69071277

IUPAC4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine
SMILESCCn1c(-c2nc(N)ncc2F)cnc1C
InChIInChI=1S/C10H12FN5/c1-3-16-6(2)13-5-8(16)9-7(11)4-14-10(12)15-9/h4-5H,3H2,1-2H3,(H2,12,14,15)
InChIKeyFHIOUVILQLHCEV-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.39
Rot. Bonds2

About 4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine

4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine (PubChem CID 69071277) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine
PubChem CID69071277
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine
SMILESCCn1c(-c2nc(N)ncc2F)cnc1C
InChIInChI=1S/C10H12FN5/c1-3-16-6(2)13-5-8(16)9-7(11)4-14-10(12)15-9/h4-5H,3H2,1-2H3,(H2,12,14,15)
InChIKeyFHIOUVILQLHCEV-UHFFFAOYSA-N
XLogP1.39
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine (CID 69071277) is 4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine is CCn1c(-c2nc(N)ncc2F)cnc1C.
What is the InChIKey of 4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is FHIOUVILQLHCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-3-16-6(2)13-5-8(16)9-7(11)4-14-10(12)15-9/h4-5H,3H2,1-2H3,(H2,12,14,15).
What are the key properties of 4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine?
4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 221.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 69071277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).