2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine

C11H17N7S — CID 78911654

IUPAC2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCCCCn1nnnc1CSc1nc(C)cc(N)n1
InChIInChI=1S/C11H17N7S/c1-3-4-5-18-10(15-16-17-18)7-19-11-13-8(2)6-9(12)14-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14)
InChIKeyTUBFICASUPBEQX-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.45
Rot. Bonds6

About 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine

2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 78911654) has the molecular formula C11H17N7S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID78911654
Molecular FormulaC11H17N7S
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCCCCn1nnnc1CSc1nc(C)cc(N)n1
InChIInChI=1S/C11H17N7S/c1-3-4-5-18-10(15-16-17-18)7-19-11-13-8(2)6-9(12)14-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14)
InChIKeyTUBFICASUPBEQX-UHFFFAOYSA-N
XLogP1.45
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine (CID 78911654) is 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine is CCCCn1nnnc1CSc1nc(C)cc(N)n1.
What is the InChIKey of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is TUBFICASUPBEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S/c1-3-4-5-18-10(15-16-17-18)7-19-11-13-8(2)6-9(12)14-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 279.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 78911654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).