4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

C18H24N4O2 — CID 137268715

IUPAC4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCCC(C(C)O)C3)nc2)n1
InChIInChI=1S/C18H24N4O2/c1-3-15-9-17(24)21-18(20-15)13-6-7-16(19-10-13)22-8-4-5-14(11-22)12(2)23/h6-7,9-10,12,14,23H,3-5,8,11H2,1-2H3,(H,20,21,24)
InChIKeyIKIZUBDAJYNTGS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.99
Rot. Bonds4

About 4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137268715) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137268715
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCCC(C(C)O)C3)nc2)n1
InChIInChI=1S/C18H24N4O2/c1-3-15-9-17(24)21-18(20-15)13-6-7-16(19-10-13)22-8-4-5-14(11-22)12(2)23/h6-7,9-10,12,14,23H,3-5,8,11H2,1-2H3,(H,20,21,24)
InChIKeyIKIZUBDAJYNTGS-UHFFFAOYSA-N
XLogP1.99
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137257680
2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137275494
1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 137061301
4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264948
2-[6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268371
4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264971
2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136581628
4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 136527471
2-[6-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136524613
N-[(3R)-1-[5-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 136759903
2-[6-[3-[(3,4-difluorophenyl)methyl-methylamino]pyrrolidin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 166374259
methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 137257748

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137268715) is 4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(N3CCCC(C(C)O)C3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is IKIZUBDAJYNTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-15-9-17(24)21-18(20-15)13-6-7-16(19-10-13)22-8-4-5-14(11-22)12(2)23/h6-7,9-10,12,14,23H,3-5,8,11H2,1-2H3,(H,20,21,24).
What are the key properties of 4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 328.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137268715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).