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

C19H22N4O — CID 58073672

IUPAC1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol
SMILESCCc1ncnc(N2CCC(O)CC2)c1C#Cc1ccc(C)nc1
InChIInChI=1S/C19H22N4O/c1-3-18-17(7-6-15-5-4-14(2)20-12-15)19(22-13-21-18)23-10-8-16(24)9-11-23/h4-5,12-13,16,24H,3,8-11H2,1-2H3
InChIKeyFYLUUBDBAVRQOF-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.10
Rot. Bonds2

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

1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 58073672) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID58073672
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol
SMILESCCc1ncnc(N2CCC(O)CC2)c1C#Cc1ccc(C)nc1
InChIInChI=1S/C19H22N4O/c1-3-18-17(7-6-15-5-4-14(2)20-12-15)19(22-13-21-18)23-10-8-16(24)9-11-23/h4-5,12-13,16,24H,3,8-11H2,1-2H3
InChIKeyFYLUUBDBAVRQOF-UHFFFAOYSA-N
XLogP2.10
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.10
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-ol?
The IUPAC name of 1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol (CID 58073672) is 1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol is CCc1ncnc(N2CCC(O)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-ol?
The InChIKey is FYLUUBDBAVRQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-18-17(7-6-15-5-4-14(2)20-12-15)19(22-13-21-18)23-10-8-16(24)9-11-23/h4-5,12-13,16,24H,3,8-11H2,1-2H3.
What are the key properties of 1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol?
1-[6-ethyl-5-[2-(6-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 322.41 g/mol, XLogP of 2.10, 2 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-ol is sourced from PubChem (CID 58073672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).