4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine

C14H19FN6 — CID 80737154

IUPAC4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(Nc2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H19FN6/c1-4-9-16-12-18-13(20-14(19-12)21(2)3)17-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyVXLAUIUPKBKHBM-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.64
Rot. Bonds6

About 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine

4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80737154) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80737154
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(Nc2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H19FN6/c1-4-9-16-12-18-13(20-14(19-12)21(2)3)17-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyVXLAUIUPKBKHBM-UHFFFAOYSA-N
XLogP2.64
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964
4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80736602
2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80849924
4-acetyl-N-[2-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide
CID 172871592
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-N-[(4-fluorophenyl)methyl]-2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 90175607
4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 4213211
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(4-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80887308

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 80737154) is 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(Nc2ccc(F)cc2)nc(N(C)C)n1.
What is the InChIKey of 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VXLAUIUPKBKHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-4-9-16-12-18-13(20-14(19-12)21(2)3)17-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 290.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80737154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).