3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one

C10H14N2O — CID 89186261

IUPAC3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one
SMILESC=C1C(C)=C(/C=C\C)NC(=O)N1C
InChIInChI=1S/C10H14N2O/c1-5-6-9-7(2)8(3)12(4)10(13)11-9/h5-6H,3H2,1-2,4H3,(H,11,13)/b6-5-
InChIKeyBHPRYWKJAMCFFC-WAYWQWQTSA-N
MW178.23 g/mol
LogP2.01
Rot. Bonds1

About 3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one

3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one (PubChem CID 89186261) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one
PubChem CID89186261
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one
SMILESC=C1C(C)=C(/C=C\C)NC(=O)N1C
InChIInChI=1S/C10H14N2O/c1-5-6-9-7(2)8(3)12(4)10(13)11-9/h5-6H,3H2,1-2,4H3,(H,11,13)/b6-5-
InChIKeyBHPRYWKJAMCFFC-WAYWQWQTSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one?
The IUPAC name of 3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one (CID 89186261) is 3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one?
The canonical SMILES for 3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one is C=C1C(C)=C(/C=C\C)NC(=O)N1C.
What is the InChIKey of 3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one?
The InChIKey is BHPRYWKJAMCFFC-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-6-9-7(2)8(3)12(4)10(13)11-9/h5-6H,3H2,1-2,4H3,(H,11,13)/b6-5-.
What are the key properties of 3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one?
3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-methylidene-6-[(Z)-prop-1-enyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 89186261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).