4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one

C15H22N2O2 — CID 136963776

IUPAC4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C3CC3)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(8-4-3-5-9-15)14-16-12(11-6-7-11)10-13(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyRFYDMIUQUMYFDI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.84
Rot. Bonds4

About 4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one (PubChem CID 136963776) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
PubChem CID136963776
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C3CC3)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(8-4-3-5-9-15)14-16-12(11-6-7-11)10-13(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyRFYDMIUQUMYFDI-UHFFFAOYSA-N
XLogP2.84
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one (CID 136963776) is 4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one is CCOC1(c2nc(C3CC3)cc(=O)[nH]2)CCCCC1.
What is the InChIKey of 4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is RFYDMIUQUMYFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-15(8-4-3-5-9-15)14-16-12(11-6-7-11)10-13(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 262.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136963776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).