4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C12H20N4O — CID 136989738

IUPAC4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCNCC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C12H20N4O/c1-2-13-7-10-4-3-5-16(8-10)11-6-12(17)15-9-14-11/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,17)
InChIKeyDWOXACIVFDRUFA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.60
Rot. Bonds4

About 4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one

4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136989738) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136989738
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCNCC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C12H20N4O/c1-2-13-7-10-4-3-5-16(8-10)11-6-12(17)15-9-14-11/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,17)
InChIKeyDWOXACIVFDRUFA-UHFFFAOYSA-N
XLogP0.60
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136989738) is 4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is CCNCC1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is DWOXACIVFDRUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-13-7-10-4-3-5-16(8-10)11-6-12(17)15-9-14-11/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,17).
What are the key properties of 4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).