N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine

C14H11F3N6O — CID 71577042

IUPACN-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1ccncc1
InChIInChI=1S/C14H11F3N6O/c1-8(9-2-4-18-5-3-9)21-13-19-6-10(7-20-13)11-22-12(24-23-11)14(15,16)17/h2-8H,1H3,(H,19,20,21)
InChIKeyPRQPGABYCRFTSQ-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.11
Rot. Bonds4

About N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine

N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 71577042) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID71577042
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC NameN-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1ccncc1
InChIInChI=1S/C14H11F3N6O/c1-8(9-2-4-18-5-3-9)21-13-19-6-10(7-20-13)11-22-12(24-23-11)14(15,16)17/h2-8H,1H3,(H,19,20,21)
InChIKeyPRQPGABYCRFTSQ-UHFFFAOYSA-N
XLogP3.11
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 71577043
CID 71577043
CID 2761146
CID 2761146
CID 1488506
CID 1488506
CID 1488509
CID 1488509
CID 1488512
CID 1488512
CID 57381850
CID 57381850
CID 71565459
CID 71565459
CID 71576964
CID 71576964
CID 71576965
CID 71576965
CID 71577038
CID 71577038
CID 71577039
CID 71577039
CID 71577040
CID 71577040

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 71577042) is N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is CC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is PRQPGABYCRFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c1-8(9-2-4-18-5-3-9)21-13-19-6-10(7-20-13)11-22-12(24-23-11)14(15,16)17/h2-8H,1H3,(H,19,20,21).
What are the key properties of N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine has a molecular weight of 336.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71577042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).