2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one

C14H23N3O3 — CID 136773874

IUPAC2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
SMILESCOCCNCc1cc(=O)[nH]c(C2(OC)CCCC2)n1
InChIInChI=1S/C14H23N3O3/c1-19-8-7-15-10-11-9-12(18)17-13(16-11)14(20-2)5-3-4-6-14/h9,15H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyCEBXNAOPRLKJRE-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.92
Rot. Bonds7

About 2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one

2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136773874) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136773874
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
SMILESCOCCNCc1cc(=O)[nH]c(C2(OC)CCCC2)n1
InChIInChI=1S/C14H23N3O3/c1-19-8-7-15-10-11-9-12(18)17-13(16-11)14(20-2)5-3-4-6-14/h9,15H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyCEBXNAOPRLKJRE-UHFFFAOYSA-N
XLogP0.92
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.92
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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Related Compounds

2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 116744921
4-[(2-methoxyethylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095392
4-[(2-methoxyethylamino)methyl]-2-(3-methylbutyl)-1H-pyrimidin-6-one
CID 136095485
2-cyclopentyl-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095487
4-[(2-methoxyethylamino)methyl]-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 136095530
2-cyclohexyl-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095618
4-[(2-methoxyethylamino)methyl]-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
CID 136249997
2-(3-ethylcyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136252057
4-(ethylaminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274198
2-(oxolan-2-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136274199
4-[(tert-butylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274202
4-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274203

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one (CID 136773874) is 2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one is COCCNCc1cc(=O)[nH]c(C2(OC)CCCC2)n1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is CEBXNAOPRLKJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-19-8-7-15-10-11-9-12(18)17-13(16-11)14(20-2)5-3-4-6-14/h9,15H,3-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 281.36 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136773874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).