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

C17H22N4OS — CID 30008466

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide
SMILESCc1cc(N)nc(SCC(=O)N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C17H22N4OS/c1-12(2)21(10-14-7-5-4-6-8-14)16(22)11-23-17-19-13(3)9-15(18)20-17/h4-9,12H,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyGRJNFIBZWWFBQF-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.90
Rot. Bonds6

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

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide (PubChem CID 30008466) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide
PubChem CID30008466
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide
SMILESCc1cc(N)nc(SCC(=O)N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C17H22N4OS/c1-12(2)21(10-14-7-5-4-6-8-14)16(22)11-23-17-19-13(3)9-15(18)20-17/h4-9,12H,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyGRJNFIBZWWFBQF-UHFFFAOYSA-N
XLogP2.90
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide (CID 30008466) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide is Cc1cc(N)nc(SCC(=O)N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide?
The InChIKey is GRJNFIBZWWFBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12(2)21(10-14-7-5-4-6-8-14)16(22)11-23-17-19-13(3)9-15(18)20-17/h4-9,12H,10-11H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-propan-2-ylacetamide has a molecular weight of 330.46 g/mol, XLogP of 2.90, 6 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-propan-2-ylacetamide is sourced from PubChem (CID 30008466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).