6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione

C10H18N4O3S — CID 113232638

IUPAC6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCCSCCCO)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3S/c1-14-8(11)7(9(16)13-10(14)17)12-3-6-18-5-2-4-15/h12,15H,2-6,11H2,1H3,(H,13,16,17)
InChIKeyUPFCTVDYQNTVSG-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.82
Rot. Bonds7

About 6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione

6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione (PubChem CID 113232638) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione
PubChem CID113232638
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCCSCCCO)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3S/c1-14-8(11)7(9(16)13-10(14)17)12-3-6-18-5-2-4-15/h12,15H,2-6,11H2,1H3,(H,13,16,17)
InChIKeyUPFCTVDYQNTVSG-UHFFFAOYSA-N
XLogP-0.82
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione (CID 113232638) is 6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione is Cn1c(N)c(NCCSCCCO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione?
The InChIKey is UPFCTVDYQNTVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-14-8(11)7(9(16)13-10(14)17)12-3-6-18-5-2-4-15/h12,15H,2-6,11H2,1H3,(H,13,16,17).
What are the key properties of 6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione has a molecular weight of 274.35 g/mol, XLogP of -0.82, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 113232638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).