2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide

C15H18N4OS — CID 51190623

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide
SMILESCc1cc(N)nc(SCC(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C15H18N4OS/c1-11-8-13(16)18-15(17-11)21-10-14(20)19(2)9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyIJAWWNXMATXAFL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.12
Rot. Bonds5

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide (PubChem CID 51190623) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide
PubChem CID51190623
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide
SMILESCc1cc(N)nc(SCC(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C15H18N4OS/c1-11-8-13(16)18-15(17-11)21-10-14(20)19(2)9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyIJAWWNXMATXAFL-UHFFFAOYSA-N
XLogP2.12
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
6-Benzyl-2-phenethylsulfanyl-pyrimidin-4-amine
CID 46889064
N-(3-fluoro-4-methylphenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 2592809
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2889774
6-Benzyl-2-(benzylsulfanyl)pyrimidin-4-amine
CID 46889062
6-Benzyl-2-(3-phenylpropylsulfanyl)pyrimidin-4-amine
CID 46889090
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 851324
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 1154148
4-[2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2161841
N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
CID 3221482
N-benzyl-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]propanamide
CID 4117175
6-methyl-2-(methylthio)-N-phenyl-5-prop-2-enyl-4-pyrimidinamine
CID 623158

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide (CID 51190623) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide is Cc1cc(N)nc(SCC(=O)N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide?
The InChIKey is IJAWWNXMATXAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-8-13(16)18-15(17-11)21-10-14(20)19(2)9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide has a molecular weight of 302.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-methylacetamide is sourced from PubChem (CID 51190623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).