2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C17H28F3N5O — CID 78840267

IUPAC2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC1CN(C(C)(C)CNc2nc(N(C)C)cc(C(F)(F)F)n2)CC(C)O1
InChIInChI=1S/C17H28F3N5O/c1-11-8-25(9-12(2)26-11)16(3,4)10-21-15-22-13(17(18,19)20)7-14(23-15)24(5)6/h7,11-12H,8-10H2,1-6H3,(H,21,22,23)
InChIKeyBWPMHXIRNOJUNS-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.86
Rot. Bonds5

About 2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 78840267) has the molecular formula C17H28F3N5O and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID78840267
Molecular FormulaC17H28F3N5O
Molecular Weight375.44 g/mol
Exact Mass375.22
IUPAC Name2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC1CN(C(C)(C)CNc2nc(N(C)C)cc(C(F)(F)F)n2)CC(C)O1
InChIInChI=1S/C17H28F3N5O/c1-11-8-25(9-12(2)26-11)16(3,4)10-21-15-22-13(17(18,19)20)7-14(23-15)24(5)6/h7,11-12H,8-10H2,1-6H3,(H,21,22,23)
InChIKeyBWPMHXIRNOJUNS-UHFFFAOYSA-N
XLogP2.86
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 78840267) is 2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CC1CN(C(C)(C)CNc2nc(N(C)C)cc(C(F)(F)F)n2)CC(C)O1.
What is the InChIKey of 2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is BWPMHXIRNOJUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N5O/c1-11-8-25(9-12(2)26-11)16(3,4)10-21-15-22-13(17(18,19)20)7-14(23-15)24(5)6/h7,11-12H,8-10H2,1-6H3,(H,21,22,23).
What are the key properties of 2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 375.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 78840267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).