2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide

C15H18N4OS — CID 62269461

IUPAC2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide
SMILESCNC(CSc1nccc(C)n1)(C(N)=O)c1ccccc1
InChIInChI=1S/C15H18N4OS/c1-11-8-9-18-14(19-11)21-10-15(17-2,13(16)20)12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3,(H2,16,20)
InChIKeyNYUYFDMDKRMZJT-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.48
Rot. Bonds6

About 2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide

2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide (PubChem CID 62269461) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide.

Molecular Properties

Compound Name2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide
PubChem CID62269461
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide
SMILESCNC(CSc1nccc(C)n1)(C(N)=O)c1ccccc1
InChIInChI=1S/C15H18N4OS/c1-11-8-9-18-14(19-11)21-10-15(17-2,13(16)20)12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3,(H2,16,20)
InChIKeyNYUYFDMDKRMZJT-UHFFFAOYSA-N
XLogP1.48
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide?
The IUPAC name of 2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide (CID 62269461) is 2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide.
What is the SMILES notation for 2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide?
The canonical SMILES for 2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide is CNC(CSc1nccc(C)n1)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide?
The InChIKey is NYUYFDMDKRMZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-8-9-18-14(19-11)21-10-15(17-2,13(16)20)12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3,(H2,16,20).
What are the key properties of 2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide?
2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide has a molecular weight of 302.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide is sourced from PubChem (CID 62269461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).