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

C12H16N2O2 — CID 136997676

IUPAC4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(C2CC2)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C12H16N2O2/c1-16-11(8-4-5-8)12-13-9(7-2-3-7)6-10(15)14-12/h6-8,11H,2-5H2,1H3,(H,13,14,15)
InChIKeyDLCBEWBWEZTIGY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.74
Rot. Bonds4

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

4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 136997676) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID136997676
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(C2CC2)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C12H16N2O2/c1-16-11(8-4-5-8)12-13-9(7-2-3-7)6-10(15)14-12/h6-8,11H,2-5H2,1H3,(H,13,14,15)
InChIKeyDLCBEWBWEZTIGY-UHFFFAOYSA-N
XLogP1.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.74
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-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997573
4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965343
4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965156
4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965429
4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730191
5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997852
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one
CID 136983289
2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
CID 136997576
4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 136997924

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 136997676) is 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1nc(C2CC2)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is DLCBEWBWEZTIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11(8-4-5-8)12-13-9(7-2-3-7)6-10(15)14-12/h6-8,11H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 220.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136997676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).