6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C17H17FN6 — CID 8001525

IUPAC6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CNc2cccc(F)c2)n1
InChIInChI=1S/C17H17FN6/c1-11-5-2-3-8-14(11)21-17-23-15(22-16(19)24-17)10-20-13-7-4-6-12(18)9-13/h2-9,20H,10H2,1H3,(H3,19,21,22,23,24)
InChIKeyHBRZKRMNRAAWLD-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.26
Rot. Bonds5

About 6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 8001525) has the molecular formula C17H17FN6 and a molecular weight of 324.36 g/mol. Its IUPAC name is 6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID8001525
Molecular FormulaC17H17FN6
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC Name6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CNc2cccc(F)c2)n1
InChIInChI=1S/C17H17FN6/c1-11-5-2-3-8-14(11)21-17-23-15(22-16(19)24-17)10-20-13-7-4-6-12(18)9-13/h2-9,20H,10H2,1H3,(H3,19,21,22,23,24)
InChIKeyHBRZKRMNRAAWLD-UHFFFAOYSA-N
XLogP3.26
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 8001525) is 6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(N)nc(CNc2cccc(F)c2)n1.
What is the InChIKey of 6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HBRZKRMNRAAWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6/c1-11-5-2-3-8-14(11)21-17-23-15(22-16(19)24-17)10-20-13-7-4-6-12(18)9-13/h2-9,20H,10H2,1H3,(H3,19,21,22,23,24).
What are the key properties of 6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 324.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8001525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).