5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione

C11H14N2O2 — CID 748590

IUPAC5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
SMILESC=CCn1cc(C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C11H14N2O2/c1-4-6-12-8-9(3)10(14)13(7-5-2)11(12)15/h4-5,8H,1-2,6-7H2,3H3
InChIKeyLPHRAHGTESHZNN-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.69
Rot. Bonds4

About 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione

5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione (PubChem CID 748590) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
PubChem CID748590
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
SMILESC=CCn1cc(C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C11H14N2O2/c1-4-6-12-8-9(3)10(14)13(7-5-2)11(12)15/h4-5,8H,1-2,6-7H2,3H3
InChIKeyLPHRAHGTESHZNN-UHFFFAOYSA-N
XLogP0.69
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyluracil
CID 70122
6-Amino-3-methyl-1-(2-methyl-2-propen-1-yl)-2,4(1H,3H)-pyrimidinedione
CID 11071
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
N,N-Dimethylthymine
CID 78112
N(1),N(3)-Diallyluracil
CID 165554
3-(Thymin-1'-yl)-2-propenal
CID 6439704
1,3-diisobutylpyrimidine-2,4(1H,3H)-dione
CID 2883573
(E)-3-(3,5-dimethyl-2,6-dioxopyrimidin-1-yl)prop-2-enal
CID 44386106
1-Allyl-5-fluoro-3-isobutyl-2,4(1H,3H)-pyrimidinedione
CID 598584
1,3-diallyl-5-fluoro-2,4(1H,3H)-pyrimidinedione
CID 698957
Acluracil
CID 159901

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione (CID 748590) is 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione is C=CCn1cc(C)c(=O)n(CC=C)c1=O.
What is the InChIKey of 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione?
The InChIKey is LPHRAHGTESHZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-6-12-8-9(3)10(14)13(7-5-2)11(12)15/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione?
5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione has a molecular weight of 206.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione is sourced from PubChem (CID 748590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).