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

C10H18N4O2S — CID 60661605

IUPAC6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCSC)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O2S/c1-3-5-14-8(11)7(12-4-6-17-2)9(15)13-10(14)16/h12H,3-6,11H2,1-2H3,(H,13,15,16)
InChIKeyWJUJPCBLGLOMCK-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.30
Rot. Bonds6

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

6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 60661605) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
PubChem CID60661605
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCSC)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O2S/c1-3-5-14-8(11)7(12-4-6-17-2)9(15)13-10(14)16/h12H,3-6,11H2,1-2H3,(H,13,15,16)
InChIKeyWJUJPCBLGLOMCK-UHFFFAOYSA-N
XLogP0.30
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.30
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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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione (CID 60661605) is 6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCCSC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is WJUJPCBLGLOMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-5-14-8(11)7(12-4-6-17-2)9(15)13-10(14)16/h12H,3-6,11H2,1-2H3,(H,13,15,16).
What are the key properties of 6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 258.35 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 60661605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).