4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one

C13H22N4O2 — CID 137008019

IUPAC4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCCNCC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C13H22N4O2/c1-19-6-4-14-8-11-3-2-5-17(9-11)12-7-13(18)16-10-15-12/h7,10-11,14H,2-6,8-9H2,1H3,(H,15,16,18)
InChIKeyKGSMJWOOSGLRGP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.22
Rot. Bonds6

About 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one

4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137008019) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137008019
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCCNCC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C13H22N4O2/c1-19-6-4-14-8-11-3-2-5-17(9-11)12-7-13(18)16-10-15-12/h7,10-11,14H,2-6,8-9H2,1H3,(H,15,16,18)
InChIKeyKGSMJWOOSGLRGP-UHFFFAOYSA-N
XLogP0.22
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 137008019) is 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one is COCCNCC1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is KGSMJWOOSGLRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-19-6-4-14-8-11-3-2-5-17(9-11)12-7-13(18)16-10-15-12/h7,10-11,14H,2-6,8-9H2,1H3,(H,15,16,18).
What are the key properties of 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137008019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).