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

C19H25ClN4O2S — CID 120785281

IUPAC2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)C(N)C3CCOCC3)cc2)n1.Cl
InChIInChI=1S/C19H24N4O2S.ClH/c1-12-11-13(2)22-19(21-12)26-16-5-3-15(4-6-16)23-18(24)17(20)14-7-9-25-10-8-14;/h3-6,11,14,17H,7-10,20H2,1-2H3,(H,23,24);1H
InChIKeyQNFVOIZAZGAABQ-UHFFFAOYSA-N
MW408.96 g/mol
LogP3.36
Rot. Bonds5

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

2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120785281) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is 2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120785281
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC Name2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)C(N)C3CCOCC3)cc2)n1.Cl
InChIInChI=1S/C19H24N4O2S.ClH/c1-12-11-13(2)22-19(21-12)26-16-5-3-15(4-6-16)23-18(24)17(20)14-7-9-25-10-8-14;/h3-6,11,14,17H,7-10,20H2,1-2H3,(H,23,24);1H
InChIKeyQNFVOIZAZGAABQ-UHFFFAOYSA-N
XLogP3.36
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;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]propanamide;hydrochloride
CID 119276811
2-amino-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785169
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylpentanamide;hydrochloride
CID 119700071
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795787
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800459
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119276819
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120785281) is 2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cc1cc(C)nc(Sc2ccc(NC(=O)C(N)C3CCOCC3)cc2)n1.Cl.
What is the InChIKey of 2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is QNFVOIZAZGAABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S.ClH/c1-12-11-13(2)22-19(21-12)26-16-5-3-15(4-6-16)23-18(24)17(20)14-7-9-25-10-8-14;/h3-6,11,14,17H,7-10,20H2,1-2H3,(H,23,24);1H.
What are the key properties of 2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 408.96 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120785281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).