5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile

C11H9FN6O — CID 80826966

IUPAC5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
SMILESCOc1nc(N)nc(Nc2ccc(F)c(C#N)c2)n1
InChIInChI=1S/C11H9FN6O/c1-19-11-17-9(14)16-10(18-11)15-7-2-3-8(12)6(4-7)5-13/h2-4H,1H3,(H3,14,15,16,17,18)
InChIKeyDQUPFCTVIKPDCV-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.22
Rot. Bonds3

About 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile

5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile (PubChem CID 80826966) has the molecular formula C11H9FN6O and a molecular weight of 260.23 g/mol. Its IUPAC name is 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
PubChem CID80826966
Molecular FormulaC11H9FN6O
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Name5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
SMILESCOc1nc(N)nc(Nc2ccc(F)c(C#N)c2)n1
InChIInChI=1S/C11H9FN6O/c1-19-11-17-9(14)16-10(18-11)15-7-2-3-8(12)6(4-7)5-13/h2-4H,1H3,(H3,14,15,16,17,18)
InChIKeyDQUPFCTVIKPDCV-UHFFFAOYSA-N
XLogP1.22
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80827082
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-5-bromobenzonitrile
CID 82713039
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80780587
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
5-(3-amino-5-methoxyanilino)-2-fluorobenzonitrile
CID 80739754
5-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80902716
N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62861592
6-methoxy-2-N-(2,4,5-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80825019
5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 80908581
6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 80768034

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile (CID 80826966) is 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile is COc1nc(N)nc(Nc2ccc(F)c(C#N)c2)n1.
What is the InChIKey of 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile?
The InChIKey is DQUPFCTVIKPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6O/c1-19-11-17-9(14)16-10(18-11)15-7-2-3-8(12)6(4-7)5-13/h2-4H,1H3,(H3,14,15,16,17,18).
What are the key properties of 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile?
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile has a molecular weight of 260.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile is sourced from PubChem (CID 80826966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).