N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine

C12H14FN5 — CID 80908328

IUPACN-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCN(c1cc(NN)ncn1)c1ccccc1F
InChIInChI=1S/C12H14FN5/c1-2-18(10-6-4-3-5-9(10)13)12-7-11(17-14)15-8-16-12/h3-8H,2,14H2,1H3,(H,15,16,17)
InChIKeyPCHCRPARYZWSJG-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.06
Rot. Bonds4

About N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine

N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80908328) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80908328
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC NameN-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCN(c1cc(NN)ncn1)c1ccccc1F
InChIInChI=1S/C12H14FN5/c1-2-18(10-6-4-3-5-9(10)13)12-7-11(17-14)15-8-16-12/h3-8H,2,14H2,1H3,(H,15,16,17)
InChIKeyPCHCRPARYZWSJG-UHFFFAOYSA-N
XLogP2.06
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine
CID 79176696
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80756513
N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283918
N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine
CID 115416248
N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61240901
6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine
CID 63023431
6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802
2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 63405940
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylpyrimidin-4-amine
CID 80896175
6-but-2-ynoxy-N-(2,3-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 22599680
N-ethyl-6-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80926425

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine (CID 80908328) is N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine is CCN(c1cc(NN)ncn1)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is PCHCRPARYZWSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-2-18(10-6-4-3-5-9(10)13)12-7-11(17-14)15-8-16-12/h3-8H,2,14H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine?
N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 247.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80908328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).