2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C16H21F2N5O — CID 15510118

IUPAC2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)ccc1F
InChIInChI=1S/C16H21F2N5O/c1-9-7-11(5-6-12(9)17)24-8-10(2)20-15-22-13(16(3,4)18)21-14(19)23-15/h5-7,10H,8H2,1-4H3,(H3,19,20,21,22,23)
InChIKeyADAOUUCRCKYWPO-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.99
Rot. Bonds6

About 2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 15510118) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID15510118
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC Name2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)ccc1F
InChIInChI=1S/C16H21F2N5O/c1-9-7-11(5-6-12(9)17)24-8-10(2)20-15-22-13(16(3,4)18)21-14(19)23-15/h5-7,10H,8H2,1-4H3,(H3,19,20,21,22,23)
InChIKeyADAOUUCRCKYWPO-UHFFFAOYSA-N
XLogP2.99
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 15510118) is 2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is Cc1cc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)ccc1F.
What is the InChIKey of 2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ADAOUUCRCKYWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O/c1-9-7-11(5-6-12(9)17)24-8-10(2)20-15-22-13(16(3,4)18)21-14(19)23-15/h5-7,10H,8H2,1-4H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 337.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-fluoro-3-methylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15510118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).