2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C10H14F3N3O — CID 80942176

IUPAC2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-4-7-15-8(14-3)5-9(16-7)17-6(2)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,15,16)
InChIKeyCHPSODWZFWLBOE-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.41
Rot. Bonds4

About 2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80942176) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80942176
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-4-7-15-8(14-3)5-9(16-7)17-6(2)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,15,16)
InChIKeyCHPSODWZFWLBOE-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942175
4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 80943695
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80941741
N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine
CID 80950076
2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80938888
2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80990397
N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine
CID 80942333
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877951
6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine
CID 80866444
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80942176) is 2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CCc1nc(NC)cc(OC(C)C(F)(F)F)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is CHPSODWZFWLBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-4-7-15-8(14-3)5-9(16-7)17-6(2)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,15,16).
What are the key properties of 2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80942176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).