2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one

C10H16N2O2 — CID 103241825

IUPAC2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one
SMILESCc1nc(OC(C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-6(2)7(3)14-10-5-9(13)11-8(4)12-10/h5-7H,1-4H3,(H,11,12,13)
InChIKeyQCWXHIMEKJZYBN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.50
Rot. Bonds3

About 2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one

2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one (PubChem CID 103241825) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one
PubChem CID103241825
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one
SMILESCc1nc(OC(C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-6(2)7(3)14-10-5-9(13)11-8(4)12-10/h5-7H,1-4H3,(H,11,12,13)
InChIKeyQCWXHIMEKJZYBN-UHFFFAOYSA-N
XLogP1.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one
CID 114586449
2-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240549
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241191
4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240860
4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114586569
4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240999
2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956570
4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114580959
2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one
CID 103240796
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
CID 136957285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one (CID 103241825) is 2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one is Cc1nc(OC(C)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
The InChIKey is QCWXHIMEKJZYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)7(3)14-10-5-9(13)11-8(4)12-10/h5-7H,1-4H3,(H,11,12,13).
What are the key properties of 2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).