6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione

C13H24N4O2S — CID 103704594

IUPAC6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC(CC)(CC)SC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O2S/c1-5-13(6-2,20-4)8-15-9-10(14)17(7-3)12(19)16-11(9)18/h15H,5-8,14H2,1-4H3,(H,16,18,19)
InChIKeyITLKKGAXTBWDQC-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.47
Rot. Bonds7

About 6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione (PubChem CID 103704594) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione
PubChem CID103704594
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC(CC)(CC)SC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O2S/c1-5-13(6-2,20-4)8-15-9-10(14)17(7-3)12(19)16-11(9)18/h15H,5-8,14H2,1-4H3,(H,16,18,19)
InChIKeyITLKKGAXTBWDQC-UHFFFAOYSA-N
XLogP1.47
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
CID 115613202
6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione
CID 103659754
6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione
CID 115486574
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
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
CID 106170945
6-amino-1-ethyl-5-[(4-fluorophenyl)methylamino]pyrimidine-2,4-dione
CID 60649008
6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 103761646
6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione
CID 63312031
6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
CID 115571526
6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione
CID 115625293

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione (CID 103704594) is 6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione is CCn1c(N)c(NCC(CC)(CC)SC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione?
The InChIKey is ITLKKGAXTBWDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-13(6-2,20-4)8-15-9-10(14)17(7-3)12(19)16-11(9)18/h15H,5-8,14H2,1-4H3,(H,16,18,19).
What are the key properties of 6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione has a molecular weight of 300.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 103704594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).