2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one

C12H19N3O2 — CID 103241391

IUPAC2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCCN2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-10-13-11(16)9-12(14-10)17-8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyAFEUXHBVADRACN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.94
Rot. Bonds4

About 2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one

2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 103241391) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
PubChem CID103241391
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCCN2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-10-13-11(16)9-12(14-10)17-8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyAFEUXHBVADRACN-UHFFFAOYSA-N
XLogP0.94
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496
4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241378
4-[2-(dimethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241381
4-[2-(dimethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241382
4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241384
2-cyclopropyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241387
4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241394
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
2-cyclopropyl-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241413
4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one (CID 103241391) is 2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one is Cc1nc(OCCN2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is AFEUXHBVADRACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-13-11(16)9-12(14-10)17-8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3,(H,13,14,16).
What are the key properties of 2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).