4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one

C10H14N2O — CID 136648908

IUPAC4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one
SMILESCCC/C=C\c1c(C)nc[nH]c1=O
InChIInChI=1S/C10H14N2O/c1-3-4-5-6-9-8(2)11-7-12-10(9)13/h5-7H,3-4H2,1-2H3,(H,11,12,13)/b6-5-
InChIKeyOYIZLYWKNYWGHY-WAYWQWQTSA-N
MW178.23 g/mol
LogP1.89
Rot. Bonds3

About 4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one

4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one (PubChem CID 136648908) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one
PubChem CID136648908
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one
SMILESCCC/C=C\c1c(C)nc[nH]c1=O
InChIInChI=1S/C10H14N2O/c1-3-4-5-6-9-8(2)11-7-12-10(9)13/h5-7H,3-4H2,1-2H3,(H,11,12,13)/b6-5-
InChIKeyOYIZLYWKNYWGHY-WAYWQWQTSA-N
XLogP1.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one (CID 136648908) is 4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one is CCC/C=C\c1c(C)nc[nH]c1=O.
What is the InChIKey of 4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one?
The InChIKey is OYIZLYWKNYWGHY-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-5-6-9-8(2)11-7-12-10(9)13/h5-7H,3-4H2,1-2H3,(H,11,12,13)/b6-5-.
What are the key properties of 4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one?
4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one has a molecular weight of 178.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136648908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).