6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

C20H20F2N6 — CID 78818929

IUPAC6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN(Cc2ccccc2F)C2CC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H20F2N6/c21-14-5-7-15(8-6-14)24-20-26-18(25-19(23)27-20)12-28(16-9-10-16)11-13-3-1-2-4-17(13)22/h1-8,16H,9-12H2,(H3,23,24,25,26,27)
InChIKeyPQCMEQWFCYKGHL-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.64
Rot. Bonds7

About 6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 78818929) has the molecular formula C20H20F2N6 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID78818929
Molecular FormulaC20H20F2N6
Molecular Weight382.42 g/mol
Exact Mass382.17
IUPAC Name6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN(Cc2ccccc2F)C2CC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H20F2N6/c21-14-5-7-15(8-6-14)24-20-26-18(25-19(23)27-20)12-28(16-9-10-16)11-13-3-1-2-4-17(13)22/h1-8,16H,9-12H2,(H3,23,24,25,26,27)
InChIKeyPQCMEQWFCYKGHL-UHFFFAOYSA-N
XLogP3.64
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 78818929) is 6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(CN(Cc2ccccc2F)C2CC2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PQCMEQWFCYKGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6/c21-14-5-7-15(8-6-14)24-20-26-18(25-19(23)27-20)12-28(16-9-10-16)11-13-3-1-2-4-17(13)22/h1-8,16H,9-12H2,(H3,23,24,25,26,27).
What are the key properties of 6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 382.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 78818929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).