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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Related Compounds

Enasidenib
CID 89683805
Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
Amprolium ion
CID 2178
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Sri-9439
CID 446752
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
Pik-iii
CID 67983123
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine
CID 212817

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).