2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine

C17H23N5 — CID 56768213

IUPAC2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine
SMILESCCc1nc(NCC2CCNCC2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H23N5/c1-2-16-21-15(14-5-3-4-8-19-14)11-17(22-16)20-12-13-6-9-18-10-7-13/h3-5,8,11,13,18H,2,6-7,9-10,12H2,1H3,(H,20,21,22)
InChIKeyVFTBGFLEHDOXGW-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.51
Rot. Bonds5

About 2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine

2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 56768213) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine
PubChem CID56768213
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine
SMILESCCc1nc(NCC2CCNCC2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H23N5/c1-2-16-21-15(14-5-3-4-8-19-14)11-17(22-16)20-12-13-6-9-18-10-7-13/h3-5,8,11,13,18H,2,6-7,9-10,12H2,1H3,(H,20,21,22)
InChIKeyVFTBGFLEHDOXGW-UHFFFAOYSA-N
XLogP2.51
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine (CID 56768213) is 2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine is CCc1nc(NCC2CCNCC2)cc(-c2ccccn2)n1.
What is the InChIKey of 2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is VFTBGFLEHDOXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-16-21-15(14-5-3-4-8-19-14)11-17(22-16)20-12-13-6-9-18-10-7-13/h3-5,8,11,13,18H,2,6-7,9-10,12H2,1H3,(H,20,21,22).
What are the key properties of 2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine?
2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56768213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).