2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine

C10H18N4S — CID 3313796

IUPAC2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCCCN(C)C)n1
InChIInChI=1S/C10H18N4S/c1-8-7-9(11)13-10(12-8)15-6-4-5-14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyWPPGHTJNDBHMKD-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.41
Rot. Bonds5

About 2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine

2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 3313796) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID3313796
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCCCN(C)C)n1
InChIInChI=1S/C10H18N4S/c1-8-7-9(11)13-10(12-8)15-6-4-5-14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyWPPGHTJNDBHMKD-UHFFFAOYSA-N
XLogP1.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine (CID 3313796) is 2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCCCN(C)C)n1.
What is the InChIKey of 2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is WPPGHTJNDBHMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8-7-9(11)13-10(12-8)15-6-4-5-14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine?
2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 226.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 3313796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).