4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine

C10H14F3N3O3 — CID 115355134

IUPAC4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O3/c1-17-7-5-8(18-2)16-9(15-7)14-3-4-19-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyOAYBYPPHYNDRCR-UHFFFAOYSA-N
MW281.23 g/mol
LogP1.48
Rot. Bonds7

About 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine

4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine (PubChem CID 115355134) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
PubChem CID115355134
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O3/c1-17-7-5-8(18-2)16-9(15-7)14-3-4-19-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyOAYBYPPHYNDRCR-UHFFFAOYSA-N
XLogP1.48
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 115354935
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 55259536
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384443
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
4-ethoxy-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 80909165
N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355315
N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 141283349
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 115355171

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine (CID 115355134) is 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine is COc1cc(OC)nc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
The InChIKey is OAYBYPPHYNDRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-17-7-5-8(18-2)16-9(15-7)14-3-4-19-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine has a molecular weight of 281.23 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 115355134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).