4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

C11H18N2O3 — CID 103240591

IUPAC4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H18N2O3/c1-4-15-5-6-16-10-7-9(14)12-11(13-10)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyXFGLLOAVBJXCMQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.31
Rot. Bonds6

About 4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103240591) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103240591
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H18N2O3/c1-4-15-5-6-16-10-7-9(14)12-11(13-10)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyXFGLLOAVBJXCMQ-UHFFFAOYSA-N
XLogP1.31
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.31
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 4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103240591) is 4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is CCOCCOc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XFGLLOAVBJXCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-15-5-6-16-10-7-9(14)12-11(13-10)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).