6-amino-1-tetradecylpyrimidine-2,4-dione

C18H33N3O2 — CID 22924826

IUPAC6-amino-1-tetradecylpyrimidine-2,4-dione
SMILESCCCCCCCCCCCCCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C18H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16(19)15-17(22)20-18(21)23/h15H,2-14,19H2,1H3,(H,20,22,23)
InChIKeySTTGPFFYLGJJAV-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.82
Rot. Bonds13

About 6-amino-1-tetradecylpyrimidine-2,4-dione

6-amino-1-tetradecylpyrimidine-2,4-dione (PubChem CID 22924826) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 6-amino-1-tetradecylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-tetradecylpyrimidine-2,4-dione
PubChem CID22924826
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name6-amino-1-tetradecylpyrimidine-2,4-dione
SMILESCCCCCCCCCCCCCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C18H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16(19)15-17(22)20-18(21)23/h15H,2-14,19H2,1H3,(H,20,22,23)
InChIKeySTTGPFFYLGJJAV-UHFFFAOYSA-N
XLogP3.82
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 82943721
6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 63964773
6-amino-1-(hexadecylamino)pyrimidine-2,4-dione
CID 70172319
6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione
CID 114537437
6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
CID 28994143
6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione
CID 10331856
5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid
CID 82470977
1-hexyl-1,3,5-triazinane-2,4,6-trione;isocyanic acid
CID 172765496
1,3-dihexyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 140791594
5-acetyl-3-hexyl-1H-benzimidazol-2-one
CID 101435534
6-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106402494
diethyl 2,5-bis[4-[2-(3-octyl-2,6-dioxopyrimidin-4-yl)ethynyl]anilino]benzene-1,4-dicarboxylate
CID 132551991

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-tetradecylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-tetradecylpyrimidine-2,4-dione (CID 22924826) is 6-amino-1-tetradecylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-tetradecylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-tetradecylpyrimidine-2,4-dione is CCCCCCCCCCCCCCn1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-tetradecylpyrimidine-2,4-dione?
The InChIKey is STTGPFFYLGJJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16(19)15-17(22)20-18(21)23/h15H,2-14,19H2,1H3,(H,20,22,23).
What are the key properties of 6-amino-1-tetradecylpyrimidine-2,4-dione?
6-amino-1-tetradecylpyrimidine-2,4-dione has a molecular weight of 323.48 g/mol, XLogP of 3.82, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-tetradecylpyrimidine-2,4-dione is sourced from PubChem (CID 22924826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).