ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one

C12H18N2O — CID 143124846

IUPACethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one
SMILESC=Cc1nc(C)[nH]c(=O)c1C(=C)C.CC
InChIInChI=1S/C10H12N2O.C2H6/c1-5-8-9(6(2)3)10(13)12-7(4)11-8;1-2/h5H,1-2H2,3-4H3,(H,11,12,13);1-2H3
InChIKeyOMTRCRMVRUSLOV-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.78
Rot. Bonds2

About ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one

ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one (PubChem CID 143124846) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one
PubChem CID143124846
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nameethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one
SMILESC=Cc1nc(C)[nH]c(=O)c1C(=C)C.CC
InChIInChI=1S/C10H12N2O.C2H6/c1-5-8-9(6(2)3)10(13)12-7(4)11-8;1-2/h5H,1-2H2,3-4H3,(H,11,12,13);1-2H3
InChIKeyOMTRCRMVRUSLOV-UHFFFAOYSA-N
XLogP2.78
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Allyl-2,6-dimethyl-4-pyrimidinol
CID 135447922
CH 150
CID 93406
2,6-di(propan-2-yl)pyrimidin-4(3H)-one
CID 135631190
2,6-Dipropyl-3,4-dihydropyrimidin-4-one
CID 135966776
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-ethyl-2,6,8-trimethyl-
CID 3053751
4-methyl-5-prop-2-enyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135997657
4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one
CID 137277384
5-(But-3-en-2-yl)-2,6-dimethylpyrimidin-4(3h)-one
CID 137306452
2-methyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135665929
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-(prop-2-en-1-yl)pyrimidin-4-ol
CID 135420403
3-Ethyl-2,6-dimethylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydron;sulfate
CID 70571174
2-n-Butyl-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135625455

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one?
The IUPAC name of ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one (CID 143124846) is ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one is C=Cc1nc(C)[nH]c(=O)c1C(=C)C.CC.
What is the InChIKey of ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one?
The InChIKey is OMTRCRMVRUSLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C2H6/c1-5-8-9(6(2)3)10(13)12-7(4)11-8;1-2/h5H,1-2H2,3-4H3,(H,11,12,13);1-2H3.
What are the key properties of ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one?
ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 143124846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).