6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione

C12H22N4O2S — CID 115604164

IUPAC6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCC(C)SC)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2S/c1-4-7-16-10(13)9(11(17)15-12(16)18)14-6-5-8(2)19-3/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKeyIDEFGDHDODAHQU-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.08
Rot. Bonds7

About 6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione

6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 115604164) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
PubChem CID115604164
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCC(C)SC)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2S/c1-4-7-16-10(13)9(11(17)15-12(16)18)14-6-5-8(2)19-3/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKeyIDEFGDHDODAHQU-UHFFFAOYSA-N
XLogP1.08
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
6-amino-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 63967441
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione
CID 66108166
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
CID 115628510
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
CID 2398060
6-amino-1-butyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrimidine-2,4-dione
CID 63966820

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione (CID 115604164) is 6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCCC(C)SC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is IDEFGDHDODAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-7-16-10(13)9(11(17)15-12(16)18)14-6-5-8(2)19-3/h8,14H,4-7,13H2,1-3H3,(H,15,17,18).
What are the key properties of 6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 286.40 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 115604164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).