1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one

C13H21N3O — CID 55134263

IUPAC1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one
SMILESO=c1ncccn1CCNCC1CCCCC1
InChIInChI=1S/C13H21N3O/c17-13-15-7-4-9-16(13)10-8-14-11-12-5-2-1-3-6-12/h4,7,9,12,14H,1-3,5-6,8,10-11H2
InChIKeyDEQISAYEHBYGEK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds5

About 1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one

1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one (PubChem CID 55134263) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one
PubChem CID55134263
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one
SMILESO=c1ncccn1CCNCC1CCCCC1
InChIInChI=1S/C13H21N3O/c17-13-15-7-4-9-16(13)10-8-14-11-12-5-2-1-3-6-12/h4,7,9,12,14H,1-3,5-6,8,10-11H2
InChIKeyDEQISAYEHBYGEK-UHFFFAOYSA-N
XLogP1.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one (CID 55134263) is 1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one is O=c1ncccn1CCNCC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one?
The InChIKey is DEQISAYEHBYGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-13-15-7-4-9-16(13)10-8-14-11-12-5-2-1-3-6-12/h4,7,9,12,14H,1-3,5-6,8,10-11H2.
What are the key properties of 1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one?
1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylmethylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 55134263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).