N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide

C15H25N3OS — CID 17417079

IUPACN-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)NC(C)(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H25N3OS/c1-9(2)13-16-10(3)8-12(17-13)20-11(4)14(19)18-15(5,6)7/h8-9,11H,1-7H3,(H,18,19)
InChIKeyKASGVKAXZFUERA-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.30
Rot. Bonds4

About N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide

N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 17417079) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID17417079
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)NC(C)(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H25N3OS/c1-9(2)13-16-10(3)8-12(17-13)20-11(4)14(19)18-15(5,6)7/h8-9,11H,1-7H3,(H,18,19)
InChIKeyKASGVKAXZFUERA-UHFFFAOYSA-N
XLogP3.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide (CID 17417079) is N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide is Cc1cc(SC(C)C(=O)NC(C)(C)C)nc(C(C)C)n1.
What is the InChIKey of N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is KASGVKAXZFUERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-9(2)13-16-10(3)8-12(17-13)20-11(4)14(19)18-15(5,6)7/h8-9,11H,1-7H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 295.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 17417079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).