4-butoxy-2-ethyl-1H-pyrimidin-6-one

C10H16N2O2 — CID 103240835

IUPAC4-butoxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C10H16N2O2/c1-3-5-6-14-10-7-9(13)11-8(4-2)12-10/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyHEGXACRWWBFWGX-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.51
Rot. Bonds5

About 4-butoxy-2-ethyl-1H-pyrimidin-6-one

4-butoxy-2-ethyl-1H-pyrimidin-6-one (PubChem CID 103240835) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-butoxy-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butoxy-2-ethyl-1H-pyrimidin-6-one
PubChem CID103240835
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-butoxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C10H16N2O2/c1-3-5-6-14-10-7-9(13)11-8(4-2)12-10/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyHEGXACRWWBFWGX-UHFFFAOYSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,2-difluoropropoxy)-2-methyl-1H-pyrimidin-6-one
CID 157879767
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240403
2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240404
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
2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241791
4-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241794
4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241905
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-butoxy-2-ethyl-1H-pyrimidin-6-one (CID 103240835) is 4-butoxy-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butoxy-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-butoxy-2-ethyl-1H-pyrimidin-6-one is CCCCOc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-butoxy-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is HEGXACRWWBFWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-6-14-10-7-9(13)11-8(4-2)12-10/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 4-butoxy-2-ethyl-1H-pyrimidin-6-one?
4-butoxy-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).