N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H20F3N5 — CID 97208706

IUPACN-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC[C@H](c2cccnc2)N2CCCCC2)n1
InChIInChI=1S/C17H20F3N5/c18-17(19,20)15-6-8-22-16(24-15)23-12-14(13-5-4-7-21-11-13)25-9-2-1-3-10-25/h4-8,11,14H,1-3,9-10,12H2,(H,22,23,24)/t14-/m1/s1
InChIKeyQJCLTSSJEWJCQK-CQSZACIVSA-N
MW351.38 g/mol
LogP3.53
Rot. Bonds5

About N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 97208706) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID97208706
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC NameN-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC[C@H](c2cccnc2)N2CCCCC2)n1
InChIInChI=1S/C17H20F3N5/c18-17(19,20)15-6-8-22-16(24-15)23-12-14(13-5-4-7-21-11-13)25-9-2-1-3-10-25/h4-8,11,14H,1-3,9-10,12H2,(H,22,23,24)/t14-/m1/s1
InChIKeyQJCLTSSJEWJCQK-CQSZACIVSA-N
XLogP3.53
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-2-pyrrolidin-1-ylpentyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 71684743
N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 52567449
5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine
CID 29153886
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
CID 142393925
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 113221365
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 52678059
5,7-dimethyl-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190501
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 72875943
3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72925899

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 97208706) is N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NC[C@H](c2cccnc2)N2CCCCC2)n1.
What is the InChIKey of N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QJCLTSSJEWJCQK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20F3N5/c18-17(19,20)15-6-8-22-16(24-15)23-12-14(13-5-4-7-21-11-13)25-9-2-1-3-10-25/h4-8,11,14H,1-3,9-10,12H2,(H,22,23,24)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 351.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 97208706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).