5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one

C15H25N3O3 — CID 90740852

IUPAC5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one
SMILESCc1c(OC2CCN(C(C)OC(C)C)CC2)nc[nH]c1=O
InChIInChI=1S/C15H25N3O3/c1-10(2)20-12(4)18-7-5-13(6-8-18)21-15-11(3)14(19)16-9-17-15/h9-10,12-13H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyUWWKNOLXYUWQFE-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.69
Rot. Bonds5

About 5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one

5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one (PubChem CID 90740852) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one
PubChem CID90740852
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one
SMILESCc1c(OC2CCN(C(C)OC(C)C)CC2)nc[nH]c1=O
InChIInChI=1S/C15H25N3O3/c1-10(2)20-12(4)18-7-5-13(6-8-18)21-15-11(3)14(19)16-9-17-15/h9-10,12-13H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyUWWKNOLXYUWQFE-UHFFFAOYSA-N
XLogP1.69
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 90993345
5-amino-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241477
5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241481
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 114676283
5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 114676284
5-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 114676285
4-(4-ethoxypiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954311

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one (CID 90740852) is 5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one is Cc1c(OC2CCN(C(C)OC(C)C)CC2)nc[nH]c1=O.
What is the InChIKey of 5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one?
The InChIKey is UWWKNOLXYUWQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)20-12(4)18-7-5-13(6-8-18)21-15-11(3)14(19)16-9-17-15/h9-10,12-13H,5-8H2,1-4H3,(H,16,17,19).
What are the key properties of 5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one?
5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one has a molecular weight of 295.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 90740852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).