2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide

C12H18N4OS — CID 114235219

IUPAC2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide
SMILESCc1c(N)nc(C2CC2)nc1SCC(=O)N(C)C
InChIInChI=1S/C12H18N4OS/c1-7-10(13)14-11(8-4-5-8)15-12(7)18-6-9(17)16(2)3/h8H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyZYJXDOFLHCICBJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.42
Rot. Bonds4

About 2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide

2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide (PubChem CID 114235219) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide
PubChem CID114235219
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide
SMILESCc1c(N)nc(C2CC2)nc1SCC(=O)N(C)C
InChIInChI=1S/C12H18N4OS/c1-7-10(13)14-11(8-4-5-8)15-12(7)18-6-9(17)16(2)3/h8H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyZYJXDOFLHCICBJ-UHFFFAOYSA-N
XLogP1.42
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide (CID 114235219) is 2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide is Cc1c(N)nc(C2CC2)nc1SCC(=O)N(C)C.
What is the InChIKey of 2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is ZYJXDOFLHCICBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-7-10(13)14-11(8-4-5-8)15-12(7)18-6-9(17)16(2)3/h8H,4-6H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide?
2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 114235219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).