2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one

C16H26N2O2 — CID 136963627

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C(C)C)cc(=O)[nH]2)CCC(C)CC1
InChIInChI=1S/C16H26N2O2/c1-5-20-16(8-6-12(4)7-9-16)15-17-13(11(2)3)10-14(19)18-15/h10-12H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyMWSGONTWMALSJI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.34
Rot. Bonds4

About 2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one

2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136963627) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136963627
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C(C)C)cc(=O)[nH]2)CCC(C)CC1
InChIInChI=1S/C16H26N2O2/c1-5-20-16(8-6-12(4)7-9-16)15-17-13(11(2)3)10-14(19)18-15/h10-12H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyMWSGONTWMALSJI-UHFFFAOYSA-N
XLogP3.34
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963634
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744917
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963776
2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136963559
2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 137017909
2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 137017949
2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136963971
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one
CID 136963951
4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136960396
2-(1-ethoxycycloheptyl)-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964013
5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963992
2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one
CID 106951863

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136963627) is 2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one is CCOC1(c2nc(C(C)C)cc(=O)[nH]2)CCC(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MWSGONTWMALSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-20-16(8-6-12(4)7-9-16)15-17-13(11(2)3)10-14(19)18-15/h10-12H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).