N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide

C13H14N4OS — CID 155675407

IUPACN-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide
SMILESCN(c1ccccc1)c1ncc(NC(=O)CS)cn1
InChIInChI=1S/C13H14N4OS/c1-17(11-5-3-2-4-6-11)13-14-7-10(8-15-13)16-12(18)9-19/h2-8,19H,9H2,1H3,(H,16,18)
InChIKeyAOGCPAZUDKGVDA-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide

N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide (PubChem CID 155675407) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide
PubChem CID155675407
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide
SMILESCN(c1ccccc1)c1ncc(NC(=O)CS)cn1
InChIInChI=1S/C13H14N4OS/c1-17(11-5-3-2-4-6-11)13-14-7-10(8-15-13)16-12(18)9-19/h2-8,19H,9H2,1H3,(H,16,18)
InChIKeyAOGCPAZUDKGVDA-UHFFFAOYSA-N
XLogP2.11
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide?
The IUPAC name of N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide (CID 155675407) is N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide.
What is the SMILES notation for N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide?
The canonical SMILES for N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide is CN(c1ccccc1)c1ncc(NC(=O)CS)cn1.
What is the InChIKey of N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide?
The InChIKey is AOGCPAZUDKGVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-17(11-5-3-2-4-6-11)13-14-7-10(8-15-13)16-12(18)9-19/h2-8,19H,9H2,1H3,(H,16,18).
What are the key properties of N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide?
N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide has a molecular weight of 274.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)pyrimidin-5-yl]-2-sulfanylacetamide is sourced from PubChem (CID 155675407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).