2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

C24H32FN7 — CID 134149762

IUPAC2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)CCCC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C24H32FN7/c1-4-32(5-2)17-9-10-18(3)26-22-29-23(27-20-11-7-6-8-12-20)31-24(30-22)28-21-15-13-19(25)14-16-21/h6-8,11-16,18H,4-5,9-10,17H2,1-3H3,(H3,26,27,28,29,30,31)
InChIKeyFMVCLGRMDCWJCO-UHFFFAOYSA-N
MW437.57 g/mol
LogP5.42
Rot. Bonds12

About 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 134149762) has the molecular formula C24H32FN7 and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID134149762
Molecular FormulaC24H32FN7
Molecular Weight437.57 g/mol
Exact Mass437.27
IUPAC Name2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)CCCC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C24H32FN7/c1-4-32(5-2)17-9-10-18(3)26-22-29-23(27-20-11-7-6-8-12-20)31-24(30-22)28-21-15-13-19(25)14-16-21/h6-8,11-16,18H,4-5,9-10,17H2,1-3H3,(H3,26,27,28,29,30,31)
InChIKeyFMVCLGRMDCWJCO-UHFFFAOYSA-N
XLogP5.42
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride
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CID 36691119
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CID 60732509
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CID 129412307
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
6-N-(4-anilinophenyl)-4-N-[4-(5-methylhexan-2-ylamino)phenyl]-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 175506207

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 134149762) is 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)CCCC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FMVCLGRMDCWJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN7/c1-4-32(5-2)17-9-10-18(3)26-22-29-23(27-20-11-7-6-8-12-20)31-24(30-22)28-21-15-13-19(25)14-16-21/h6-8,11-16,18H,4-5,9-10,17H2,1-3H3,(H3,26,27,28,29,30,31).
What are the key properties of 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 437.57 g/mol, XLogP of 5.42, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134149762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).