6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine

C17H25FN6O — CID 155980321

IUPAC6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(C)CC2CCN(Cc3noc(C)n3)CC2)c1F
InChIInChI=1S/C17H25FN6O/c1-4-14-16(18)17(20-11-19-14)23(3)9-13-5-7-24(8-6-13)10-15-21-12(2)25-22-15/h11,13H,4-10H2,1-3H3
InChIKeyUJPGPJCPCIXTCO-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.22
Rot. Bonds6

About 6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 155980321) has the molecular formula C17H25FN6O and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID155980321
Molecular FormulaC17H25FN6O
Molecular Weight348.43 g/mol
Exact Mass348.21
IUPAC Name6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(C)CC2CCN(Cc3noc(C)n3)CC2)c1F
InChIInChI=1S/C17H25FN6O/c1-4-14-16(18)17(20-11-19-14)23(3)9-13-5-7-24(8-6-13)10-15-21-12(2)25-22-15/h11,13H,4-10H2,1-3H3
InChIKeyUJPGPJCPCIXTCO-UHFFFAOYSA-N
XLogP2.22
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine (CID 155980321) is 6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine is CCc1ncnc(N(C)CC2CCN(Cc3noc(C)n3)CC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is UJPGPJCPCIXTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6O/c1-4-14-16(18)17(20-11-19-14)23(3)9-13-5-7-24(8-6-13)10-15-21-12(2)25-22-15/h11,13H,4-10H2,1-3H3.
What are the key properties of 6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 348.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 155980321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).