cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone

C17H24F3N5O — CID 171359051

IUPACcyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone
SMILESCN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C17H24F3N5O/c1-24(2)14-9-13(17(18,19)20)22-16(23-14)21-12-7-8-25(10-12)15(26)11-5-3-4-6-11/h9,11-12H,3-8,10H2,1-2H3,(H,21,22,23)/t12-/m0/s1
InChIKeyCXIGDYMHMQCBII-LBPRGKRZSA-N
MW371.41 g/mol
LogP2.76
Rot. Bonds4

About cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone

cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone (PubChem CID 171359051) has the molecular formula C17H24F3N5O and a molecular weight of 371.41 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone
PubChem CID171359051
Molecular FormulaC17H24F3N5O
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC Namecyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone
SMILESCN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C17H24F3N5O/c1-24(2)14-9-13(17(18,19)20)22-16(23-14)21-12-7-8-25(10-12)15(26)11-5-3-4-6-11/h9,11-12H,3-8,10H2,1-2H3,(H,21,22,23)/t12-/m0/s1
InChIKeyCXIGDYMHMQCBII-LBPRGKRZSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone (CID 171359051) is cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone is CN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is CXIGDYMHMQCBII-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24F3N5O/c1-24(2)14-9-13(17(18,19)20)22-16(23-14)21-12-7-8-25(10-12)15(26)11-5-3-4-6-11/h9,11-12H,3-8,10H2,1-2H3,(H,21,22,23)/t12-/m0/s1.
What are the key properties of cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 371.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 171359051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).