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

C14H21N3O2 — CID 114586375

IUPAC2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCCCN2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-12-9-13(17-14(16-12)10-4-5-10)19-8-6-11-3-1-2-7-15-11/h9-11,15H,1-8H2,(H,16,17,18)
InChIKeyWIOYCTAQYGVBFS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds5

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

2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114586375) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114586375
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCCCN2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-12-9-13(17-14(16-12)10-4-5-10)19-8-6-11-3-1-2-7-15-11/h9-11,15H,1-8H2,(H,16,17,18)
InChIKeyWIOYCTAQYGVBFS-UHFFFAOYSA-N
XLogP1.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634714
4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 102729381
2-cyclopropyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241402
2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241697
4-[(1-methylpiperidin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241704
2-ethyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604865
2-methyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604867
2-cyclopropyl-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 113604872
2-ethyl-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604874
2-cyclopropyl-4-heptoxy-1H-pyrimidin-6-one
CID 113792596
2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586281
2-cyclopropyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586347

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one (CID 114586375) is 2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one is O=c1cc(OCCC2CCCCN2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is WIOYCTAQYGVBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-12-9-13(17-14(16-12)10-4-5-10)19-8-6-11-3-1-2-7-15-11/h9-11,15H,1-8H2,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).