2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine

C12H14FN5O — CID 118312734

IUPAC2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine
SMILESNc1nc(OCCN(N)c2ccccc2)ncc1F
InChIInChI=1S/C12H14FN5O/c13-10-8-16-12(17-11(10)14)19-7-6-18(15)9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H2,14,16,17)
InChIKeyPRZGYXKVZKSWNV-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.96
Rot. Bonds5

About 2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine

2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine (PubChem CID 118312734) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine
PubChem CID118312734
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine
SMILESNc1nc(OCCN(N)c2ccccc2)ncc1F
InChIInChI=1S/C12H14FN5O/c13-10-8-16-12(17-11(10)14)19-7-6-18(15)9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H2,14,16,17)
InChIKeyPRZGYXKVZKSWNV-UHFFFAOYSA-N
XLogP0.96
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine (CID 118312734) is 2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine is Nc1nc(OCCN(N)c2ccccc2)ncc1F.
What is the InChIKey of 2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine?
The InChIKey is PRZGYXKVZKSWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c13-10-8-16-12(17-11(10)14)19-7-6-18(15)9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H2,14,16,17).
What are the key properties of 2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine?
2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine has a molecular weight of 263.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 118312734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).