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

C12H19N3O2 — CID 136956677

IUPAC4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCOC2CCCCC2)nc[nH]1
InChIInChI=1S/C12H19N3O2/c16-12-8-11(14-9-15-12)13-6-7-17-10-4-2-1-3-5-10/h8-10H,1-7H2,(H2,13,14,15,16)
InChIKeyKXNWOESRIPPXHC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.53
Rot. Bonds5

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

4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136956677) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one
PubChem CID136956677
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCOC2CCCCC2)nc[nH]1
InChIInChI=1S/C12H19N3O2/c16-12-8-11(14-9-15-12)13-6-7-17-10-4-2-1-3-5-10/h8-10H,1-7H2,(H2,13,14,15,16)
InChIKeyKXNWOESRIPPXHC-UHFFFAOYSA-N
XLogP1.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one (CID 136956677) is 4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one is O=c1cc(NCCOC2CCCCC2)nc[nH]1.
What is the InChIKey of 4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is KXNWOESRIPPXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12-8-11(14-9-15-12)13-6-7-17-10-4-2-1-3-5-10/h8-10H,1-7H2,(H2,13,14,15,16).
What are the key properties of 4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one?
4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).