4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one

C13H20N2O2 — CID 136997573

IUPAC4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(C(C)(C)C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)9-7-10(16)15-12(14-9)11(17-4)8-5-6-8/h7-8,11H,5-6H2,1-4H3,(H,14,15,16)
InChIKeySVDXDVWFIJTRNV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.16
Rot. Bonds3

About 4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one

4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 136997573) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID136997573
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(C(C)(C)C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)9-7-10(16)15-12(14-9)11(17-4)8-5-6-8/h7-8,11H,5-6H2,1-4H3,(H,14,15,16)
InChIKeySVDXDVWFIJTRNV-UHFFFAOYSA-N
XLogP2.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705672
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997676
4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965429
4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965156
4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965343
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
CID 136997576
4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 136965433
5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997852
4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 136997924
4-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 136963605

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 136997573) is 4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1nc(C(C)(C)C)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is SVDXDVWFIJTRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)9-7-10(16)15-12(14-9)11(17-4)8-5-6-8/h7-8,11H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136997573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).