2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine

C14H20N6S2 — CID 13285559

IUPAC2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCCCCSc2nc(C)cc(N)n2)n1
InChIInChI=1S/C14H20N6S2/c1-9-7-11(15)19-13(17-9)21-5-3-4-6-22-14-18-10(2)8-12(16)20-14/h7-8H,3-6H2,1-2H3,(H2,15,17,19)(H2,16,18,20)
InChIKeyWNCNIOVYNWNZBH-UHFFFAOYSA-N
MW336.49 g/mol
LogP2.71
Rot. Bonds7

About 2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine

2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 13285559) has the molecular formula C14H20N6S2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID13285559
Molecular FormulaC14H20N6S2
Molecular Weight336.49 g/mol
Exact Mass336.12
IUPAC Name2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCCCCSc2nc(C)cc(N)n2)n1
InChIInChI=1S/C14H20N6S2/c1-9-7-11(15)19-13(17-9)21-5-3-4-6-22-14-18-10(2)8-12(16)20-14/h7-8H,3-6H2,1-2H3,(H2,15,17,19)(H2,16,18,20)
InChIKeyWNCNIOVYNWNZBH-UHFFFAOYSA-N
XLogP2.71
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine (CID 13285559) is 2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCCCCSc2nc(C)cc(N)n2)n1.
What is the InChIKey of 2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is WNCNIOVYNWNZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S2/c1-9-7-11(15)19-13(17-9)21-5-3-4-6-22-14-18-10(2)8-12(16)20-14/h7-8H,3-6H2,1-2H3,(H2,15,17,19)(H2,16,18,20).
What are the key properties of 2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine?
2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 336.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 13285559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).