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

C10H14F3N3O — CID 60731920

IUPAC4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7-5-8(2)16-9(15-7)14-3-4-17-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyJCIXYWDRTAYUKD-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.08
Rot. Bonds5

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

4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine (PubChem CID 60731920) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
PubChem CID60731920
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7-5-8(2)16-9(15-7)14-3-4-17-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyJCIXYWDRTAYUKD-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4,6-Dimethylpyrimidin-2-yl)morpholine
CID 676802
2-[(4,6-Dimethyl-2-pyrimidinyl)amino]-ethanol
CID 1646801
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 1646798
N-(4,6-dimethylpyrimidin-2-yl)-2-ethoxyacetamide
CID 1825627
2-[(4,6-Dimethylpyrimidin-2-yl)amino]ethanol;hydrochloride
CID 16192677
2-(Ethylamino)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 3704748
6-ethyl-2-(4-morpholinyl)-N-(3,3,3-trifluoropropyl)-4-pyrimidinamine
CID 39767354
2-ethoxy-N-(2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)acetamide
CID 71796940
4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 75423985
2-Methoxy-4-methyl-6-(trifluoromethyl)pyrimidine
CID 12324821
N,N,4-trimethyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 14545358
3-[(4,6-Dimethylpyrimidin-2-yl)amino]propan-1-ol
CID 1646802

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine (CID 60731920) is 4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine is Cc1cc(C)nc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
The InChIKey is JCIXYWDRTAYUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7-5-8(2)16-9(15-7)14-3-4-17-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of 4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 60731920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).