6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione

C14H26N4O2S — CID 104925628

IUPAC6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCCCCSC)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O2S/c1-3-4-9-18-12(15)11(13(19)17-14(18)20)16-8-6-5-7-10-21-2/h16H,3-10,15H2,1-2H3,(H,17,19,20)
InChIKeyARJJRGSCAHWDOQ-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.86
Rot. Bonds10

About 6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione

6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione (PubChem CID 104925628) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione
PubChem CID104925628
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCCCCSC)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O2S/c1-3-4-9-18-12(15)11(13(19)17-14(18)20)16-8-6-5-7-10-21-2/h16H,3-10,15H2,1-2H3,(H,17,19,20)
InChIKeyARJJRGSCAHWDOQ-UHFFFAOYSA-N
XLogP1.86
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-1-butyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrimidine-2,4-dione
CID 63966820
6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718
methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
CID 60661545
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-1-butyl-5-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-2,4-dione
CID 62947582

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione (CID 104925628) is 6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NCCCCCSC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione?
The InChIKey is ARJJRGSCAHWDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-3-4-9-18-12(15)11(13(19)17-14(18)20)16-8-6-5-7-10-21-2/h16H,3-10,15H2,1-2H3,(H,17,19,20).
What are the key properties of 6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione has a molecular weight of 314.46 g/mol, XLogP of 1.86, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 104925628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).