2-tert-butylsulfanylpyrimidin-5-amine

C8H13N3S — CID 61147249

IUPAC2-tert-butylsulfanylpyrimidin-5-amine
SMILESCC(C)(C)Sc1ncc(N)cn1
InChIInChI=1S/C8H13N3S/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,9H2,1-3H3
InChIKeyLWVQPKUDAQUPAZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.95
Rot. Bonds1

About 2-tert-butylsulfanylpyrimidin-5-amine

2-tert-butylsulfanylpyrimidin-5-amine (PubChem CID 61147249) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-tert-butylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-tert-butylsulfanylpyrimidin-5-amine
PubChem CID61147249
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-tert-butylsulfanylpyrimidin-5-amine
SMILESCC(C)(C)Sc1ncc(N)cn1
InChIInChI=1S/C8H13N3S/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,9H2,1-3H3
InChIKeyLWVQPKUDAQUPAZ-UHFFFAOYSA-N
XLogP1.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanylpyrimidin-5-amine?
The IUPAC name of 2-tert-butylsulfanylpyrimidin-5-amine (CID 61147249) is 2-tert-butylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-tert-butylsulfanylpyrimidin-5-amine?
The canonical SMILES for 2-tert-butylsulfanylpyrimidin-5-amine is CC(C)(C)Sc1ncc(N)cn1.
What is the InChIKey of 2-tert-butylsulfanylpyrimidin-5-amine?
The InChIKey is LWVQPKUDAQUPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,9H2,1-3H3.
What are the key properties of 2-tert-butylsulfanylpyrimidin-5-amine?
2-tert-butylsulfanylpyrimidin-5-amine has a molecular weight of 183.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 61147249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).