4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine

C11H9ClFN5 — CID 144828615

IUPAC4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(Nc2nc(Cl)ncc2F)ccc1N
InChIInChI=1S/C11H9ClFN5/c12-11-16-5-8(13)10(18-11)17-7-1-2-9(15)6(3-7)4-14/h1-5,14H,15H2,(H,16,17,18)/b14-4+
InChIKeyYPXVVXOELCUNLT-LNKIKWGQSA-N
MW265.68 g/mol
LogP2.59
Rot. Bonds3

About 4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine

4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine (PubChem CID 144828615) has the molecular formula C11H9ClFN5 and a molecular weight of 265.68 g/mol. Its IUPAC name is 4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine
PubChem CID144828615
Molecular FormulaC11H9ClFN5
Molecular Weight265.68 g/mol
Exact Mass265.05
IUPAC Name4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(Nc2nc(Cl)ncc2F)ccc1N
InChIInChI=1S/C11H9ClFN5/c12-11-16-5-8(13)10(18-11)17-7-1-2-9(15)6(3-7)4-14/h1-5,14H,15H2,(H,16,17,18)/b14-4+
InChIKeyYPXVVXOELCUNLT-LNKIKWGQSA-N
XLogP2.59
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoro-N-naphthalen-2-ylpyrimidin-4-amine
CID 79081850
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995
5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79081237
4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine
CID 142172419
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 79080683
2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen
CID 143370621
2-chloro-5-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22061152
5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1-benzofuran-2-carboxylic acid
CID 22061034
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine (CID 144828615) is 4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine is [H]/N=C/c1cc(Nc2nc(Cl)ncc2F)ccc1N.
What is the InChIKey of 4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine?
The InChIKey is YPXVVXOELCUNLT-LNKIKWGQSA-N. The full InChI is InChI=1S/C11H9ClFN5/c12-11-16-5-8(13)10(18-11)17-7-1-2-9(15)6(3-7)4-14/h1-5,14H,15H2,(H,16,17,18)/b14-4+.
What are the key properties of 4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine?
4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine has a molecular weight of 265.68 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine is sourced from PubChem (CID 144828615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).