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

C14H17F3N4O — CID 164822157

IUPAC2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide
SMILESNC(=O)CC1([C@H]2CCN(c3ncc(C(F)(F)F)cn3)C2)CC1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)10-6-19-12(20-7-10)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
InChIKeyCZTSAQZLEIKMBJ-VIFPVBQESA-N
MW314.31 g/mol
LogP1.98
Rot. Bonds4

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

2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide (PubChem CID 164822157) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide
PubChem CID164822157
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide
SMILESNC(=O)CC1([C@H]2CCN(c3ncc(C(F)(F)F)cn3)C2)CC1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)10-6-19-12(20-7-10)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
InChIKeyCZTSAQZLEIKMBJ-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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Related Compounds

N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 118739204
2-(Cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 118744475
2-[(3R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 129623307
3-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl]-3-methylbutan-2-one
CID 142475938
2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide
CID 156678838
2-[1-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]cyclopropyl]acetamide
CID 164822149
(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 165405002
2-[1-[5-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 168150251
2-[1-[5-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide
CID 168150290
1-[1-[5-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 168150423
2-[8-[5-(Trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 168150426
2-[[2-(Trifluoromethyl)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 168208126

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide?
The IUPAC name of 2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide (CID 164822157) is 2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide.
What is the SMILES notation for 2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide?
The canonical SMILES for 2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide is NC(=O)CC1([C@H]2CCN(c3ncc(C(F)(F)F)cn3)C2)CC1.
What is the InChIKey of 2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide?
The InChIKey is CZTSAQZLEIKMBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N4O/c15-14(16,17)10-6-19-12(20-7-10)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-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide?
2-[1-[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-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-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclopropyl]acetamide is sourced from PubChem (CID 164822157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).