2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide

C10H16N4OS — CID 70981360

IUPAC2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(NC(C)(C)C)ncc1C(N)=O
InChIInChI=1S/C10H16N4OS/c1-10(2,3)14-9-12-5-6(7(11)15)8(13-9)16-4/h5H,1-4H3,(H2,11,15)(H,12,13,14)
InChIKeyWTCNHZALSXKARM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.51
Rot. Bonds3

About 2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide

2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 70981360) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide
PubChem CID70981360
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(NC(C)(C)C)ncc1C(N)=O
InChIInChI=1S/C10H16N4OS/c1-10(2,3)14-9-12-5-6(7(11)15)8(13-9)16-4/h5H,1-4H3,(H2,11,15)(H,12,13,14)
InChIKeyWTCNHZALSXKARM-UHFFFAOYSA-N
XLogP1.51
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide (CID 70981360) is 2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(NC(C)(C)C)ncc1C(N)=O.
What is the InChIKey of 2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is WTCNHZALSXKARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-10(2,3)14-9-12-5-6(7(11)15)8(13-9)16-4/h5H,1-4H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide?
2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 70981360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).