2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine

C14H20F3N3O — CID 143219149

IUPAC2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
SMILESCCc1nc(C2CC2)nc(OCCC(F)(F)F)c1CCN
InChIInChI=1S/C14H20F3N3O/c1-2-11-10(5-7-18)13(21-8-6-14(15,16)17)20-12(19-11)9-3-4-9/h9H,2-8,18H2,1H3
InChIKeyCWSPWYWBKVJXAJ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.75
Rot. Bonds7

About 2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine

2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine (PubChem CID 143219149) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
PubChem CID143219149
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
SMILESCCc1nc(C2CC2)nc(OCCC(F)(F)F)c1CCN
InChIInChI=1S/C14H20F3N3O/c1-2-11-10(5-7-18)13(21-8-6-14(15,16)17)20-12(19-11)9-3-4-9/h9H,2-8,18H2,1H3
InChIKeyCWSPWYWBKVJXAJ-UHFFFAOYSA-N
XLogP2.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine (CID 143219149) is 2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine is CCc1nc(C2CC2)nc(OCCC(F)(F)F)c1CCN.
What is the InChIKey of 2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
The InChIKey is CWSPWYWBKVJXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-11-10(5-7-18)13(21-8-6-14(15,16)17)20-12(19-11)9-3-4-9/h9H,2-8,18H2,1H3.
What are the key properties of 2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine has a molecular weight of 303.33 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 143219149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).