2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

C12H20N2O3 — CID 106451672

IUPAC2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCCc1nc(OCCOCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H20N2O3/c1-4-10-13-11(15)7-12(14-10)17-6-5-16-8-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyCRPDOOHUQWMLDW-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.38
Rot. Bonds7

About 2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 106451672) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID106451672
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCCc1nc(OCCOCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H20N2O3/c1-4-10-13-11(15)7-12(14-10)17-6-5-16-8-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyCRPDOOHUQWMLDW-UHFFFAOYSA-N
XLogP1.38
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.38
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
2-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240409
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554
4-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241794
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906
4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241909
2-ethyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241929
2-propan-2-yl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792803
2-propan-2-yl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 113792805
2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (CID 106451672) is 2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is CCc1nc(OCCOCC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is CRPDOOHUQWMLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-10-13-11(15)7-12(14-10)17-6-5-16-8-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of 2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 240.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 106451672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).