N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide

C12H14N4OS — CID 8024703

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESC[C@@](C#N)(NC(=O)CSc1ncccn1)C1CC1
InChIInChI=1S/C12H14N4OS/c1-12(8-13,9-3-4-9)16-10(17)7-18-11-14-5-2-6-15-11/h2,5-6,9H,3-4,7H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyFXBVAJJYAUVPDM-LBPRGKRZSA-N
MW262.34 g/mol
LogP1.38
Rot. Bonds5

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 8024703) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID8024703
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESC[C@@](C#N)(NC(=O)CSc1ncccn1)C1CC1
InChIInChI=1S/C12H14N4OS/c1-12(8-13,9-3-4-9)16-10(17)7-18-11-14-5-2-6-15-11/h2,5-6,9H,3-4,7H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyFXBVAJJYAUVPDM-LBPRGKRZSA-N
XLogP1.38
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 8024703) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide is C[C@@](C#N)(NC(=O)CSc1ncccn1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is FXBVAJJYAUVPDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-12(8-13,9-3-4-9)16-10(17)7-18-11-14-5-2-6-15-11/h2,5-6,9H,3-4,7H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 262.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 8024703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).