4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one

C12H20N4O2 — CID 136978200

IUPAC4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one
SMILESNC1CCC(OCCNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O2/c13-9-1-3-10(4-2-9)18-6-5-14-11-7-12(17)16-8-15-11/h7-10H,1-6,13H2,(H2,14,15,16,17)
InChIKeyOPYZEKNCJWWIDB-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds5

About 4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one

4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one (PubChem CID 136978200) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one
PubChem CID136978200
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one
SMILESNC1CCC(OCCNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O2/c13-9-1-3-10(4-2-9)18-6-5-14-11-7-12(17)16-8-15-11/h7-10H,1-6,13H2,(H2,14,15,16,17)
InChIKeyOPYZEKNCJWWIDB-UHFFFAOYSA-N
XLogP0.47
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.47
H-Bond Donors ≤ 53
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-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one (CID 136978200) is 4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one is NC1CCC(OCCNc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one?
The InChIKey is OPYZEKNCJWWIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-9-1-3-10(4-2-9)18-6-5-14-11-7-12(17)16-8-15-11/h7-10H,1-6,13H2,(H2,14,15,16,17).
What are the key properties of 4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one?
4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).