1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione

C18H33N3O2 — CID 129144118

IUPAC1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione
SMILESCCCCCCC(C)(CCCCCC)c1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C18H33N3O2/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)15-14-21(19)17(23)20-16(15)22/h14H,4-13,19H2,1-3H3,(H,20,22,23)
InChIKeyMIDMXKHPAWXBSI-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.45
Rot. Bonds11

About 1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione

1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione (PubChem CID 129144118) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione
PubChem CID129144118
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione
SMILESCCCCCCC(C)(CCCCCC)c1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C18H33N3O2/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)15-14-21(19)17(23)20-16(15)22/h14H,4-13,19H2,1-3H3,(H,20,22,23)
InChIKeyMIDMXKHPAWXBSI-UHFFFAOYSA-N
XLogP3.45
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.45
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

5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione
CID 129082314
1-Amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione
CID 129144583
5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione
CID 130471053
1-Amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione
CID 134419507
1-Methyl-5-tridecan-7-ylpyrimidine-2,4-dione
CID 139417096
1-Amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione
CID 139423492
5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione
CID 146175163
5-(7-methyltridecan-7-yl)-1H-pyrimidine-2,4-dione
CID 170053500
5-tridecan-7-yl-1H-pyrimidine-2,4-dione
CID 170289085
5-Dodecan-6-yl-1-methylpyrimidine-2,4-dione
CID 170289090

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione (CID 129144118) is 1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione is CCCCCCC(C)(CCCCCC)c1cn(N)c(=O)[nH]c1=O.
What is the InChIKey of 1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione?
The InChIKey is MIDMXKHPAWXBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)15-14-21(19)17(23)20-16(15)22/h14H,4-13,19H2,1-3H3,(H,20,22,23).
What are the key properties of 1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione?
1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione has a molecular weight of 323.48 g/mol, XLogP of 3.45, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 129144118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).