4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one

C11H17N3O2 — CID 136956668

IUPAC4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCOC2CCCC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-11-7-10(13-8-14-11)12-5-6-16-9-3-1-2-4-9/h7-9H,1-6H2,(H2,12,13,14,15)
InChIKeyVXCZBTQXJSGUNA-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.14
Rot. Bonds5

About 4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one

4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136956668) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one
PubChem CID136956668
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCOC2CCCC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-11-7-10(13-8-14-11)12-5-6-16-9-3-1-2-4-9/h7-9H,1-6H2,(H2,12,13,14,15)
InChIKeyVXCZBTQXJSGUNA-UHFFFAOYSA-N
XLogP1.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820297
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
CID 136896842
4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954502
4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 136955871
4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956019
4-(2-butoxyethylamino)-1H-pyrimidin-6-one
CID 136956279
4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956338
4-[2-(3-methylbutoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956477
4-[(2-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136956536
4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956667
4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one
CID 136956677
4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 136956770

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one (CID 136956668) is 4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one is O=c1cc(NCCOC2CCCC2)nc[nH]1.
What is the InChIKey of 4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is VXCZBTQXJSGUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11-7-10(13-8-14-11)12-5-6-16-9-3-1-2-4-9/h7-9H,1-6H2,(H2,12,13,14,15).
What are the key properties of 4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one?
4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).