2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one

C10H16N2O3 — CID 103240706

IUPAC2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCCOC(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-7(2)14-4-5-15-10-6-9(13)11-8(3)12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyKBBYRAOTYUUTML-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.88
Rot. Bonds5

About 2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one

2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240706) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240706
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCCOC(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-7(2)14-4-5-15-10-6-9(13)11-8(3)12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyKBBYRAOTYUUTML-UHFFFAOYSA-N
XLogP0.88
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 20674308
4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one
CID 23525166
ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 161322465
4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 164856640
4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
CID 166803033
2-Methyl-6-propoxypyrimidin-4(1H)-one
CID 45117351
2-Ethyl-6-propoxypyrimidin-4(1H)-one
CID 45117356
6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
6-Propoxy-2-propylpyrimidin-4(1H)-one
CID 45117371
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one (CID 103240706) is 2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one is Cc1nc(OCCOC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is KBBYRAOTYUUTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)14-4-5-15-10-6-9(13)11-8(3)12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).