6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine

C14H14F3N5 — CID 86727117

IUPAC6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine
SMILESNc1cccc(-c2cnc(N3CCC[C@H]3C(F)(F)F)nc2)n1
InChIInChI=1S/C14H14F3N5/c15-14(16,17)11-4-2-6-22(11)13-19-7-9(8-20-13)10-3-1-5-12(18)21-10/h1,3,5,7-8,11H,2,4,6H2,(H2,18,21)/t11-/m0/s1
InChIKeyGHTJOOQPGAEDAQ-NSHDSACASA-N
MW309.30 g/mol
LogP2.65
Rot. Bonds2

About 6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine

6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine (PubChem CID 86727117) has the molecular formula C14H14F3N5 and a molecular weight of 309.30 g/mol. Its IUPAC name is 6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine
PubChem CID86727117
Molecular FormulaC14H14F3N5
Molecular Weight309.30 g/mol
Exact Mass309.12
IUPAC Name6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine
SMILESNc1cccc(-c2cnc(N3CCC[C@H]3C(F)(F)F)nc2)n1
InChIInChI=1S/C14H14F3N5/c15-14(16,17)11-4-2-6-22(11)13-19-7-9(8-20-13)10-3-1-5-12(18)21-10/h1,3,5,7-8,11H,2,4,6H2,(H2,18,21)/t11-/m0/s1
InChIKeyGHTJOOQPGAEDAQ-NSHDSACASA-N
XLogP2.65
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine?
The IUPAC name of 6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine (CID 86727117) is 6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine.
What is the SMILES notation for 6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine?
The canonical SMILES for 6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine is Nc1cccc(-c2cnc(N3CCC[C@H]3C(F)(F)F)nc2)n1.
What is the InChIKey of 6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine?
The InChIKey is GHTJOOQPGAEDAQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H14F3N5/c15-14(16,17)11-4-2-6-22(11)13-19-7-9(8-20-13)10-3-1-5-12(18)21-10/h1,3,5,7-8,11H,2,4,6H2,(H2,18,21)/t11-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine?
6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine has a molecular weight of 309.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridin-2-amine is sourced from PubChem (CID 86727117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).