5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one

C9H14N2O — CID 24903855

IUPAC5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCc1cnc(C(C)C)[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-4-7-5-10-8(6(2)3)11-9(7)12/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeySECNHGBNCVRQIS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds2

About 5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one

5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 24903855) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID24903855
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCc1cnc(C(C)C)[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-4-7-5-10-8(6(2)3)11-9(7)12/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeySECNHGBNCVRQIS-UHFFFAOYSA-N
XLogP1.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 24903855) is 5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one is CCc1cnc(C(C)C)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SECNHGBNCVRQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7-5-10-8(6(2)3)11-9(7)12/h5-6H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one?
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 24903855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).