2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide

C14H17F3N4O — CID 164822149

IUPAC2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide
SMILESNC(=O)CC1([C@H]2CCN(c3cnc(C(F)(F)F)nc3)C2)CC1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)12-19-6-10(7-20-12)21-4-1-9(8-21)13(2-3-13)5-11(18)22/h6-7,9H,1-5,8H2,(H2,18,22)/t9-/m0/s1
InChIKeyPGPLIYFNNHQSBY-VIFPVBQESA-N
MW314.31 g/mol
LogP1.98
Rot. Bonds4

About 2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide

2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide (PubChem CID 164822149) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide
PubChem CID164822149
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide
SMILESNC(=O)CC1([C@H]2CCN(c3cnc(C(F)(F)F)nc3)C2)CC1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)12-19-6-10(7-20-12)21-4-1-9(8-21)13(2-3-13)5-11(18)22/h6-7,9H,1-5,8H2,(H2,18,22)/t9-/m0/s1
InChIKeyPGPLIYFNNHQSBY-VIFPVBQESA-N
XLogP1.98
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide?
The IUPAC name of 2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide (CID 164822149) is 2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide.
What is the SMILES notation for 2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide?
The canonical SMILES for 2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide is NC(=O)CC1([C@H]2CCN(c3cnc(C(F)(F)F)nc3)C2)CC1.
What is the InChIKey of 2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide?
The InChIKey is PGPLIYFNNHQSBY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N4O/c15-14(16,17)12-19-6-10(7-20-12)21-4-1-9(8-21)13(2-3-13)5-11(18)22/h6-7,9H,1-5,8H2,(H2,18,22)/t9-/m0/s1.
What are the key properties of 2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide?
2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide has a molecular weight of 314.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide is sourced from PubChem (CID 164822149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).