2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one

C10H16N2O — CID 126542947

IUPAC2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCCc1ncc(CC(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O/c1-4-9-11-6-8(5-7(2)3)10(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyALWORZZDYGFQLV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.53
Rot. Bonds3

About 2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one

2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 126542947) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID126542947
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCCc1ncc(CC(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O/c1-4-9-11-6-8(5-7(2)3)10(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyALWORZZDYGFQLV-UHFFFAOYSA-N
XLogP1.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one (CID 126542947) is 2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one is CCc1ncc(CC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is ALWORZZDYGFQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9-11-6-8(5-7(2)3)10(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one?
2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 180.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 126542947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).