2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C19H15F6N7O — CID 134561947

IUPAC2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cc(Nc2nc(NOCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1
InChIInChI=1S/C19H15F6N7O/c20-18(21,22)13-3-1-2-12(28-13)15-29-16(31-17(30-15)32-33-9-10-4-5-10)27-11-6-7-26-14(8-11)19(23,24)25/h1-3,6-8,10H,4-5,9H2,(H2,26,27,29,30,31,32)
InChIKeyWNPDVNWCMSLRTC-UHFFFAOYSA-N
MW471.37 g/mol
LogP4.86
Rot. Bonds7

About 2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 134561947) has the molecular formula C19H15F6N7O and a molecular weight of 471.37 g/mol. Its IUPAC name is 2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID134561947
Molecular FormulaC19H15F6N7O
Molecular Weight471.37 g/mol
Exact Mass471.12
IUPAC Name2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cc(Nc2nc(NOCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1
InChIInChI=1S/C19H15F6N7O/c20-18(21,22)13-3-1-2-12(28-13)15-29-16(31-17(30-15)32-33-9-10-4-5-10)27-11-6-7-26-14(8-11)19(23,24)25/h1-3,6-8,10H,4-5,9H2,(H2,26,27,29,30,31,32)
InChIKeyWNPDVNWCMSLRTC-UHFFFAOYSA-N
XLogP4.86
TPSA97.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 134561947) is 2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is FC(F)(F)c1cc(Nc2nc(NOCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.
What is the InChIKey of 2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WNPDVNWCMSLRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N7O/c20-18(21,22)13-3-1-2-12(28-13)15-29-16(31-17(30-15)32-33-9-10-4-5-10)27-11-6-7-26-14(8-11)19(23,24)25/h1-3,6-8,10H,4-5,9H2,(H2,26,27,29,30,31,32).
What are the key properties of 2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 471.37 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134561947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).