4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one

C9H14N2O3 — CID 23525166

IUPAC4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCCC(O)COc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H14N2O3/c1-3-7(12)5-14-9-4-8(13)10-6(2)11-9/h4,7,12H,3,5H2,1-2H3,(H,10,11,13)
InChIKeyNUJMFNLUMSJSQE-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.23
Rot. Bonds4

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

4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 23525166) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID23525166
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCCC(O)COc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H14N2O3/c1-3-7(12)5-14-9-4-8(13)10-6(2)11-9/h4,7,12H,3,5H2,1-2H3,(H,10,11,13)
InChIKeyNUJMFNLUMSJSQE-UHFFFAOYSA-N
XLogP0.23
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240434
4-(2-ethoxyethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240586
4-(2-methoxyethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240665
2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240666
2-methyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240706
2-ethyl-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240708
4-(2-hydroxyethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240757
2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
CID 103240759
4-(2-hydroxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240766
4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240808
2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one
CID 103240810
4-butoxy-2-methyl-1H-pyrimidin-6-one
CID 103240833

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one (CID 23525166) is 4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one is CCC(O)COc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NUJMFNLUMSJSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-7(12)5-14-9-4-8(13)10-6(2)11-9/h4,7,12H,3,5H2,1-2H3,(H,10,11,13).
What are the key properties of 4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one?
4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 23525166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).