5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

C15H26N4O2 — CID 136958196

IUPAC5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCCNC(C)C1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C15H26N4O2/c1-4-7-16-11(2)12-6-5-8-19(9-12)14-13(21-3)15(20)18-10-17-14/h10-12,16H,4-9H2,1-3H3,(H,17,18,20)
InChIKeyDEJLRDMCOBRNPV-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.38
Rot. Bonds6

About 5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136958196) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136958196
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCCNC(C)C1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C15H26N4O2/c1-4-7-16-11(2)12-6-5-8-19(9-12)14-13(21-3)15(20)18-10-17-14/h10-12,16H,4-9H2,1-3H3,(H,17,18,20)
InChIKeyDEJLRDMCOBRNPV-UHFFFAOYSA-N
XLogP1.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 136958196) is 5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is CCCNC(C)C1CCCN(c2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is DEJLRDMCOBRNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-7-16-11(2)12-6-5-8-19(9-12)14-13(21-3)15(20)18-10-17-14/h10-12,16H,4-9H2,1-3H3,(H,17,18,20).
What are the key properties of 5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 294.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).