4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C13H21N3O — CID 136956214

IUPAC4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1CCC(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C13H21N3O/c1-2-10-3-5-11(6-4-10)8-14-12-7-13(17)16-9-15-12/h7,9-11H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyAIVGPHMFOJMLPU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds4

About 4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one

4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956214) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956214
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1CCC(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C13H21N3O/c1-2-10-3-5-11(6-4-10)8-14-12-7-13(17)16-9-15-12/h7,9-11H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyAIVGPHMFOJMLPU-UHFFFAOYSA-N
XLogP2.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136956214) is 4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CCC1CCC(CNc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is AIVGPHMFOJMLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-10-3-5-11(6-4-10)8-14-12-7-13(17)16-9-15-12/h7,9-11H,2-6,8H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).