N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine

C10H13F6N5 — CID 547272

IUPACN-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc(C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F6N5/c1-21(2)5-3-4-17-8-19-6(9(11,12)13)18-7(20-8)10(14,15)16/h3-5H2,1-2H3,(H,17,18,19,20)
InChIKeyPRMVXNRNJNWOJH-UHFFFAOYSA-N
MW317.24 g/mol
LogP2.27
Rot. Bonds5

About N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine

N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 547272) has the molecular formula C10H13F6N5 and a molecular weight of 317.24 g/mol. Its IUPAC name is N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID547272
Molecular FormulaC10H13F6N5
Molecular Weight317.24 g/mol
Exact Mass317.11
IUPAC NameN-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc(C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F6N5/c1-21(2)5-3-4-17-8-19-6(9(11,12)13)18-7(20-8)10(14,15)16/h3-5H2,1-2H3,(H,17,18,19,20)
InChIKeyPRMVXNRNJNWOJH-UHFFFAOYSA-N
XLogP2.27
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
s-Triazine, 2-dimethylamino-4-isopropylamino-6-(trifluoromethyl)-
CID 3041954
s-Triazine, 2-isopropylamino-4-methylamino-6-trifluoromethyl-
CID 3041963
N~2~-(Butan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 3041965
1,3,5-Triazine-2,4-diamine, N-(3-(4-methyl-1-piperazinyl)propyl)-6-(trifluoromethyl)-
CID 3041967
1,3,5-Triazin-2-amine, N-ethyl-4-methyl-6-(trifluoromethyl)-
CID 3041968
s-Triazine, 2-amino-4-isopropylamino-6-trifluoromethyl-
CID 3041987
2-Difluoromethyl-4-amino-6-ethylamino-s-triazine
CID 129787532
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 178327053
2-[[3-(Dimethylamino)propyl]amino]-4,6-bis[chlorodifluoromethyl]-1,3,5-triazine
CID 547273
2-(Ethylamino)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 549911
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-methyl-1,3,5-triazin-2-amine
CID 549970

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine (CID 547272) is N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nc(C(F)(F)F)nc(C(F)(F)F)n1.
What is the InChIKey of N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is PRMVXNRNJNWOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N5/c1-21(2)5-3-4-17-8-19-6(9(11,12)13)18-7(20-8)10(14,15)16/h3-5H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 317.24 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 547272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).