(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride

C15H19ClN4OS — CID 119276811

IUPAC(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)[C@H](C)N)cc2)n1.Cl
InChIInChI=1S/C15H18N4OS.ClH/c1-9-8-10(2)18-15(17-9)21-13-6-4-12(5-7-13)19-14(20)11(3)16;/h4-8,11H,16H2,1-3H3,(H,19,20);1H/t11-;/m0./s1
InChIKeySFVDDLMDYMOKAI-MERQFXBCSA-N
MW338.86 g/mol
LogP2.95
Rot. Bonds4

About (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride

(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride (PubChem CID 119276811) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride
PubChem CID119276811
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)[C@H](C)N)cc2)n1.Cl
InChIInChI=1S/C15H18N4OS.ClH/c1-9-8-10(2)18-15(17-9)21-13-6-4-12(5-7-13)19-14(20)11(3)16;/h4-8,11H,16H2,1-3H3,(H,19,20);1H/t11-;/m0./s1
InChIKeySFVDDLMDYMOKAI-MERQFXBCSA-N
XLogP2.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylpentanamide;hydrochloride
CID 119700071
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119276819
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785281
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonylbutanamide
CID 119956272
2-amino-N-(2,6-dimethyl-4-pyridinyl)propanamide;hydrochloride
CID 130978046
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273773
(2S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 24677133
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 18208060
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride (CID 119276811) is (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride is Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H](C)N)cc2)n1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride?
The InChIKey is SFVDDLMDYMOKAI-MERQFXBCSA-N. The full InChI is InChI=1S/C15H18N4OS.ClH/c1-9-8-10(2)18-15(17-9)21-13-6-4-12(5-7-13)19-14(20)11(3)16;/h4-8,11H,16H2,1-3H3,(H,19,20);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride is sourced from PubChem (CID 119276811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).