5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione

C13H20N2O3 — CID 118938736

IUPAC5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione
SMILESC=C(C)COCCCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-10(2)9-18-7-5-4-6-15-8-11(3)12(16)14-13(15)17/h8H,1,4-7,9H2,2-3H3,(H,14,16,17)
InChIKeySJWQMQHFBACTEL-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.22
Rot. Bonds7

About 5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione

5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione (PubChem CID 118938736) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione
PubChem CID118938736
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione
SMILESC=C(C)COCCCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-10(2)9-18-7-5-4-6-15-8-11(3)12(16)14-13(15)17/h8H,1,4-7,9H2,2-3H3,(H,14,16,17)
InChIKeySJWQMQHFBACTEL-UHFFFAOYSA-N
XLogP1.22
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
5-methyl-1-undec-10-enylpyrimidine-2,4-dione
CID 102262411
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione
CID 10585230
2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethylsulfanyl acetate
CID 151243454
(2S)-5-(diaminomethylideneamino)-2-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)butoxycarbonylamino]pentanoic acid
CID 10620869
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate
CID 70558578
1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid
CID 142308782
5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 66737977

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione (CID 118938736) is 5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione is C=C(C)COCCCCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione?
The InChIKey is SJWQMQHFBACTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)9-18-7-5-4-6-15-8-11(3)12(16)14-13(15)17/h8H,1,4-7,9H2,2-3H3,(H,14,16,17).
What are the key properties of 5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione?
5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione has a molecular weight of 252.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione is sourced from PubChem (CID 118938736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).