2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

C14H21N3O2 — CID 103241697

IUPAC2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCN1CCCCC1COc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H21N3O2/c1-17-7-3-2-4-11(17)9-19-13-8-12(18)15-14(16-13)10-5-6-10/h8,10-11H,2-7,9H2,1H3,(H,15,16,18)
InChIKeyXPVAYFNBATYKJE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.51
Rot. Bonds4

About 2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 103241697) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID103241697
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCN1CCCCC1COc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H21N3O2/c1-17-7-3-2-4-11(17)9-19-13-8-12(18)15-14(16-13)10-5-6-10/h8,10-11H,2-7,9H2,1H3,(H,15,16,18)
InChIKeyXPVAYFNBATYKJE-UHFFFAOYSA-N
XLogP1.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634235
2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634714
2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741497
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241378
2-cyclopropyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241387
2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241391
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
2-cyclopropyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241402
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241410
2-cyclopropyl-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241413

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 103241697) is 2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is CN1CCCCC1COc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is XPVAYFNBATYKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-7-3-2-4-11(17)9-19-13-8-12(18)15-14(16-13)10-5-6-10/h8,10-11H,2-7,9H2,1H3,(H,15,16,18).
What are the key properties of 2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).