[1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol

C20H24N4O — CID 58073663

IUPAC[1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCCc1ncnc(N2CCC(CO)CC2)c1C#Cc1ccc(C)nc1
InChIInChI=1S/C20H24N4O/c1-3-19-18(7-6-16-5-4-15(2)21-12-16)20(23-14-22-19)24-10-8-17(13-25)9-11-24/h4-5,12,14,17,25H,3,8-11,13H2,1-2H3
InChIKeySTZYJVQIUDUSGL-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.35
Rot. Bonds3

About [1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol

[1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 58073663) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID58073663
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCCc1ncnc(N2CCC(CO)CC2)c1C#Cc1ccc(C)nc1
InChIInChI=1S/C20H24N4O/c1-3-19-18(7-6-16-5-4-15(2)21-12-16)20(23-14-22-19)24-10-8-17(13-25)9-11-24/h4-5,12,14,17,25H,3,8-11,13H2,1-2H3
InChIKeySTZYJVQIUDUSGL-UHFFFAOYSA-N
XLogP2.35
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol (CID 58073663) is [1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol is CCc1ncnc(N2CCC(CO)CC2)c1C#Cc1ccc(C)nc1.
What is the InChIKey of [1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is STZYJVQIUDUSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-19-18(7-6-16-5-4-15(2)21-12-16)20(23-14-22-19)24-10-8-17(13-25)9-11-24/h4-5,12,14,17,25H,3,8-11,13H2,1-2H3.
What are the key properties of [1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 336.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58073663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).