2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine

C16H21F2N5O — CID 21348660

IUPAC2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccc(OC(F)F)cc1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C16H21F2N5O/c1-3-12(22-16-21-10(2)20-15(19)23-16)7-4-11-5-8-13(9-6-11)24-14(17)18/h5-6,8-9,12,14H,3-4,7H2,1-2H3,(H3,19,20,21,22,23)
InChIKeySAYNLYIHWCJCSW-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.19
Rot. Bonds8

About 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine

2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 21348660) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID21348660
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC Name2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccc(OC(F)F)cc1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C16H21F2N5O/c1-3-12(22-16-21-10(2)20-15(19)23-16)7-4-11-5-8-13(9-6-11)24-14(17)18/h5-6,8-9,12,14H,3-4,7H2,1-2H3,(H3,19,20,21,22,23)
InChIKeySAYNLYIHWCJCSW-UHFFFAOYSA-N
XLogP3.19
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-methyl-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393053
6-(4-Propoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 659117
6-(4-Ethoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 660448
4-[(4-Methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137655929
6-(4-Methoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 826378
Triaziflam
CID 10947588
N-[(4-methoxyphenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 76326780
6-[[2-(2-methoxyphenyl)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 53611843
US20240199558, Example 82
CID 171522349
US20240199558, Example 20
CID 171522395
US20240199558, Example 81
CID 171522413
US20240199558, Example 19
CID 171522538

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 21348660) is 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine is CCC(CCc1ccc(OC(F)F)cc1)Nc1nc(C)nc(N)n1.
What is the InChIKey of 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SAYNLYIHWCJCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O/c1-3-12(22-16-21-10(2)20-15(19)23-16)7-4-11-5-8-13(9-6-11)24-14(17)18/h5-6,8-9,12,14H,3-4,7H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 337.37 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21348660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).