N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide

C9H11N3OS — CID 1084809

IUPACN-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CC1
InChIInChI=1S/C9H11N3OS/c13-8(12-7-2-3-7)6-14-9-10-4-1-5-11-9/h1,4-5,7H,2-3,6H2,(H,12,13)
InChIKeyDSVWCOLVMWVRMX-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.85
Rot. Bonds4

About N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide

N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 1084809) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID1084809
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CC1
InChIInChI=1S/C9H11N3OS/c13-8(12-7-2-3-7)6-14-9-10-4-1-5-11-9/h1,4-5,7H,2-3,6H2,(H,12,13)
InChIKeyDSVWCOLVMWVRMX-UHFFFAOYSA-N
XLogP0.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide (CID 1084809) is N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is DSVWCOLVMWVRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c13-8(12-7-2-3-7)6-14-9-10-4-1-5-11-9/h1,4-5,7H,2-3,6H2,(H,12,13).
What are the key properties of N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide?
N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 209.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 1084809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).