2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol

C18H25N5O — CID 155954179

IUPAC2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol
SMILESCc1cc(CNc2cc(CCO)ccn2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H25N5O/c1-14-11-16(22-18(21-14)23-8-3-2-4-9-23)13-20-17-12-15(6-10-24)5-7-19-17/h5,7,11-12,24H,2-4,6,8-10,13H2,1H3,(H,19,20)
InChIKeyGRGXWAWVQKIHFW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.32
Rot. Bonds6

About 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol

2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol (PubChem CID 155954179) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol
PubChem CID155954179
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol
SMILESCc1cc(CNc2cc(CCO)ccn2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H25N5O/c1-14-11-16(22-18(21-14)23-8-3-2-4-9-23)13-20-17-12-15(6-10-24)5-7-19-17/h5,7,11-12,24H,2-4,6,8-10,13H2,1H3,(H,19,20)
InChIKeyGRGXWAWVQKIHFW-UHFFFAOYSA-N
XLogP2.32
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol?
The IUPAC name of 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol (CID 155954179) is 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol.
What is the SMILES notation for 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol?
The canonical SMILES for 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol is Cc1cc(CNc2cc(CCO)ccn2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol?
The InChIKey is GRGXWAWVQKIHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-11-16(22-18(21-14)23-8-3-2-4-9-23)13-20-17-12-15(6-10-24)5-7-19-17/h5,7,11-12,24H,2-4,6,8-10,13H2,1H3,(H,19,20).
What are the key properties of 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol?
2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol has a molecular weight of 327.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol is sourced from PubChem (CID 155954179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).