N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C10H13N3OS — CID 6465408

IUPACN-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)NC2CC2)n1
InChIInChI=1S/C10H13N3OS/c1-7-4-5-11-10(12-7)15-6-9(14)13-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,13,14)
InChIKeyUMISABIVQINRAC-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.16
Rot. Bonds4

About N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 6465408) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID6465408
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)NC2CC2)n1
InChIInChI=1S/C10H13N3OS/c1-7-4-5-11-10(12-7)15-6-9(14)13-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,13,14)
InChIKeyUMISABIVQINRAC-UHFFFAOYSA-N
XLogP1.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 6465408) is N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is Cc1ccnc(SCC(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is UMISABIVQINRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-4-5-11-10(12-7)15-6-9(14)13-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 223.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 6465408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).