N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C11H16F3N3O — CID 80877798

IUPACN-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(OC(C)C(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O/c1-5-15-9-6(2)10(17-8(4)16-9)18-7(3)11(12,13)14/h7H,5H2,1-4H3,(H,15,16,17)
InChIKeyCOOKQSJAKSFFDH-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.85
Rot. Bonds4

About N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80877798) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80877798
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(OC(C)C(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O/c1-5-15-9-6(2)10(17-8(4)16-9)18-7(3)11(12,13)14/h7H,5H2,1-4H3,(H,15,16,17)
InChIKeyCOOKQSJAKSFFDH-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 13379306
N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877714
N,2-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine;hydrochloride
CID 175464510
4-Chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 66277827
6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66324874
6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66325084
6-ethoxy-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66326063
6-methoxy-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66326659
6-ethoxy-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66326660
6-methoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66326871
6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66326872
6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66327555

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80877798) is N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CCNc1nc(C)nc(OC(C)C(F)(F)F)c1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is COOKQSJAKSFFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-5-15-9-6(2)10(17-8(4)16-9)18-7(3)11(12,13)14/h7H,5H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80877798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).