1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea

C8H11FN4O — CID 69252499

IUPAC1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea
SMILESNCCNC(=O)Nc1ccc(F)nc1
InChIInChI=1S/C8H11FN4O/c9-7-2-1-6(5-12-7)13-8(14)11-4-3-10/h1-2,5H,3-4,10H2,(H2,11,13,14)
InChIKeyHPGIFCYVWGOIMF-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.30
Rot. Bonds3

About 1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea

1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea (PubChem CID 69252499) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea
PubChem CID69252499
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea
SMILESNCCNC(=O)Nc1ccc(F)nc1
InChIInChI=1S/C8H11FN4O/c9-7-2-1-6(5-12-7)13-8(14)11-4-3-10/h1-2,5H,3-4,10H2,(H2,11,13,14)
InChIKeyHPGIFCYVWGOIMF-UHFFFAOYSA-N
XLogP0.30
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide
CID 103808701
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea
CID 59608955
4-(2-aminoethylcarbamoylamino)-2-fluorobenzoic acid
CID 107796038
(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide
CID 104878117
1-[2-(2-fluorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108900164
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103794914
1-(2-aminoethyl)-3-(3-chloro-4-hydroxyphenyl)urea
CID 66653179
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 114052733

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea?
The IUPAC name of 1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea (CID 69252499) is 1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea is NCCNC(=O)Nc1ccc(F)nc1.
What is the InChIKey of 1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea?
The InChIKey is HPGIFCYVWGOIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c9-7-2-1-6(5-12-7)13-8(14)11-4-3-10/h1-2,5H,3-4,10H2,(H2,11,13,14).
What are the key properties of 1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea?
1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea has a molecular weight of 198.20 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea is sourced from PubChem (CID 69252499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).