2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride

C20H17ClF2N6O — CID 134140226

IUPAC2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCl.Fc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H16F2N6O.ClH/c21-13-3-7-15(8-4-13)24-19-26-18(23-12-17-2-1-11-29-17)27-20(28-19)25-16-9-5-14(22)6-10-16;/h1-11H,12H2,(H3,23,24,25,26,27,28);1H
InChIKeyHYQZRVCUYUPCLS-UHFFFAOYSA-N
MW430.85 g/mol
LogP5.26
Rot. Bonds7

About 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride

2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 134140226) has the molecular formula C20H17ClF2N6O and a molecular weight of 430.85 g/mol. Its IUPAC name is 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID134140226
Molecular FormulaC20H17ClF2N6O
Molecular Weight430.85 g/mol
Exact Mass430.11
IUPAC Name2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCl.Fc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H16F2N6O.ClH/c21-13-3-7-15(8-4-13)24-19-26-18(23-12-17-2-1-11-29-17)27-20(28-19)25-16-9-5-14(22)6-10-16;/h1-11H,12H2,(H3,23,24,25,26,27,28);1H
InChIKeyHYQZRVCUYUPCLS-UHFFFAOYSA-N
XLogP5.26
TPSA87.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.85
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride with MolForge

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Related Compounds

6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 790413
2-N,4-N-bis(4-fluorophenyl)-6-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134152918
2-N-(4-bromophenyl)-6-ethoxy-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 58039345
2-N-(4-chlorophenyl)-6-N-(furan-2-ylmethyl)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 3116177
2-N-[(2-fluorophenyl)methylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 2853247
4-[[4-(4-bromoanilino)-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol
CID 58039781
2-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889108
2-N-[(E)-benzylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 5334418
4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one
CID 135870752
2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889271
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112915354

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 134140226) is 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride is Cl.Fc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is HYQZRVCUYUPCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O.ClH/c21-13-3-7-15(8-4-13)24-19-26-18(23-12-17-2-1-11-29-17)27-20(28-19)25-16-9-5-14(22)6-10-16;/h1-11H,12H2,(H3,23,24,25,26,27,28);1H.
What are the key properties of 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride?
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 430.85 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 134140226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).