5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione

C16H26N2O3 — CID 80649763

IUPAC5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione
SMILESCCCCCCCCCn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C16H26N2O3/c1-4-5-6-7-8-9-10-11-18-12-14(13(2)19)15(20)17(3)16(18)21/h12H,4-11H2,1-3H3
InChIKeyPRMKFAQSIXZKEO-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.50
Rot. Bonds9

About 5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione

5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione (PubChem CID 80649763) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione
PubChem CID80649763
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione
SMILESCCCCCCCCCn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C16H26N2O3/c1-4-5-6-7-8-9-10-11-18-12-14(13(2)19)15(20)17(3)16(18)21/h12H,4-11H2,1-3H3
InChIKeyPRMKFAQSIXZKEO-UHFFFAOYSA-N
XLogP2.50
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione
CID 80643717
5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione
CID 80694434
5-acetyl-3-methyl-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 80648810
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 80501607
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 80501346
5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione
CID 106438781
5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
CID 103867554
5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione
CID 80650254
5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione
CID 80501507
5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
CID 80648497
2-[1-[(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 80649130
5-fluoro-1,3-dihexadecylpyrimidine-2,4-dione
CID 15579797

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione (CID 80649763) is 5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione is CCCCCCCCCn1cc(C(C)=O)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione?
The InChIKey is PRMKFAQSIXZKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-5-6-7-8-9-10-11-18-12-14(13(2)19)15(20)17(3)16(18)21/h12H,4-11H2,1-3H3.
What are the key properties of 5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione?
5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione has a molecular weight of 294.39 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione is sourced from PubChem (CID 80649763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).