4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one

C10H12N2O — CID 137198471

IUPAC4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one
SMILESC=Cc1nc[nH]c(=O)c1C=C(C)C
InChIInChI=1S/C10H12N2O/c1-4-9-8(5-7(2)3)10(13)12-6-11-9/h4-6H,1H2,2-3H3,(H,11,12,13)
InChIKeyRESVRLCNEDFQRO-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.84
Rot. Bonds2

About 4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one

4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one (PubChem CID 137198471) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one
PubChem CID137198471
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one
SMILESC=Cc1nc[nH]c(=O)c1C=C(C)C
InChIInChI=1S/C10H12N2O/c1-4-9-8(5-7(2)3)10(13)12-6-11-9/h4-6H,1H2,2-3H3,(H,11,12,13)
InChIKeyRESVRLCNEDFQRO-UHFFFAOYSA-N
XLogP1.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one (CID 137198471) is 4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one is C=Cc1nc[nH]c(=O)c1C=C(C)C.
What is the InChIKey of 4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one?
The InChIKey is RESVRLCNEDFQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-9-8(5-7(2)3)10(13)12-6-11-9/h4-6H,1H2,2-3H3,(H,11,12,13).
What are the key properties of 4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one?
4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one has a molecular weight of 176.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137198471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).