4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine

C14H21F6N5O — CID 1115548

IUPAC4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
SMILESCC[C@@H](C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CC)CC)n1
InChIInChI=1S/C14H21F6N5O/c1-5-8(4)21-10-22-11(25(6-2)7-3)24-12(23-10)26-9(13(15,16)17)14(18,19)20/h8-9H,5-7H2,1-4H3,(H,21,22,23,24)/t8-/m1/s1
InChIKeyBCOPQQOZMPSIKT-MRVPVSSYSA-N
MW389.34 g/mol
LogP3.80
Rot. Bonds8

About 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine

4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine (PubChem CID 1115548) has the molecular formula C14H21F6N5O and a molecular weight of 389.34 g/mol. Its IUPAC name is 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
PubChem CID1115548
Molecular FormulaC14H21F6N5O
Molecular Weight389.34 g/mol
Exact Mass389.17
IUPAC Name4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
SMILESCC[C@@H](C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CC)CC)n1
InChIInChI=1S/C14H21F6N5O/c1-5-8(4)21-10-22-11(25(6-2)7-3)24-12(23-10)26-9(13(15,16)17)14(18,19)20/h8-9H,5-7H2,1-4H3,(H,21,22,23,24)/t8-/m1/s1
InChIKeyBCOPQQOZMPSIKT-MRVPVSSYSA-N
XLogP3.80
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine (CID 1115548) is 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine is CC[C@@H](C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CC)CC)n1.
What is the InChIKey of 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is BCOPQQOZMPSIKT-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H21F6N5O/c1-5-8(4)21-10-22-11(25(6-2)7-3)24-12(23-10)26-9(13(15,16)17)14(18,19)20/h8-9H,5-7H2,1-4H3,(H,21,22,23,24)/t8-/m1/s1.
What are the key properties of 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 389.34 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1115548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).