N-tert-butyl-4-methylsulfanylpyrimidin-2-amine

C9H15N3S — CID 130815849

IUPACN-tert-butyl-4-methylsulfanylpyrimidin-2-amine
SMILESCSc1ccnc(NC(C)(C)C)n1
InChIInChI=1S/C9H15N3S/c1-9(2,3)12-8-10-6-5-7(11-8)13-4/h5-6H,1-4H3,(H,10,11,12)
InChIKeyZSZNHJIGDKNXTR-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.41
Rot. Bonds2

About N-tert-butyl-4-methylsulfanylpyrimidin-2-amine

N-tert-butyl-4-methylsulfanylpyrimidin-2-amine (PubChem CID 130815849) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-tert-butyl-4-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methylsulfanylpyrimidin-2-amine
PubChem CID130815849
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-tert-butyl-4-methylsulfanylpyrimidin-2-amine
SMILESCSc1ccnc(NC(C)(C)C)n1
InChIInChI=1S/C9H15N3S/c1-9(2,3)12-8-10-6-5-7(11-8)13-4/h5-6H,1-4H3,(H,10,11,12)
InChIKeyZSZNHJIGDKNXTR-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylsulfanylpyrimidin-2-amine?
The IUPAC name of N-tert-butyl-4-methylsulfanylpyrimidin-2-amine (CID 130815849) is N-tert-butyl-4-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-tert-butyl-4-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-tert-butyl-4-methylsulfanylpyrimidin-2-amine is CSc1ccnc(NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-4-methylsulfanylpyrimidin-2-amine?
The InChIKey is ZSZNHJIGDKNXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-9(2,3)12-8-10-6-5-7(11-8)13-4/h5-6H,1-4H3,(H,10,11,12).
What are the key properties of N-tert-butyl-4-methylsulfanylpyrimidin-2-amine?
N-tert-butyl-4-methylsulfanylpyrimidin-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 130815849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).