(3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine

C14H20F3N5 — CID 125441360

IUPAC(3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C1
InChIInChI=1S/C14H20F3N5/c15-14(16,17)11-8-12(22-7-3-4-10(18)9-22)20-13(19-11)21-5-1-2-6-21/h8,10H,1-7,9,18H2/t10-/m0/s1
InChIKeyDFTDJXRGIOHLSN-JTQLQIEISA-N
MW315.34 g/mol
LogP2.02
Rot. Bonds2

About (3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine

(3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine (PubChem CID 125441360) has the molecular formula C14H20F3N5 and a molecular weight of 315.34 g/mol. Its IUPAC name is (3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine
PubChem CID125441360
Molecular FormulaC14H20F3N5
Molecular Weight315.34 g/mol
Exact Mass315.17
IUPAC Name(3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C1
InChIInChI=1S/C14H20F3N5/c15-14(16,17)11-8-12(22-7-3-4-10(18)9-22)20-13(19-11)21-5-1-2-6-21/h8,10H,1-7,9,18H2/t10-/m0/s1
InChIKeyDFTDJXRGIOHLSN-JTQLQIEISA-N
XLogP2.02
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,6R)-6-amino-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]azepane-3-carboxylic acid;dihydrochloride
CID 171339761
1-[1-[2-[3-(1-hydroxyethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol
CID 133397942
[(4aS,8aS)-1-methyl-7-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135097878
[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 102972022
2-[3-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 142773171
4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563772
(4R)-4-(hydroxymethyl)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]azepan-4-ol
CID 95712864
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 114562722
2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 114562594
2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine
CID 137449340
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565467
1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794324

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine (CID 125441360) is (3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine is N[C@H]1CCCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C1.
What is the InChIKey of (3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine?
The InChIKey is DFTDJXRGIOHLSN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20F3N5/c15-14(16,17)11-8-12(22-7-3-4-10(18)9-22)20-13(19-11)21-5-1-2-6-21/h8,10H,1-7,9,18H2/t10-/m0/s1.
What are the key properties of (3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine?
(3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine has a molecular weight of 315.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 125441360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).