imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane

C5H7N3OS — CID 125424928

IUPACimino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1ncccn1
InChIInChI=1S/C5H7N3OS/c1-10(6,9)5-7-3-2-4-8-5/h2-4,6H,1H3/t10-/m0/s1
InChIKeyFSGRWNRLVOMTOT-JTQLQIEISA-N
MW157.20 g/mol
LogP0.51
Rot. Bonds1

About imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane

imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane (PubChem CID 125424928) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane
PubChem CID125424928
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Nameimino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1ncccn1
InChIInChI=1S/C5H7N3OS/c1-10(6,9)5-7-3-2-4-8-5/h2-4,6H,1H3/t10-/m0/s1
InChIKeyFSGRWNRLVOMTOT-JTQLQIEISA-N
XLogP0.51
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane (CID 125424928) is imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane is [H]N=[S@@](C)(=O)c1ncccn1.
What is the InChIKey of imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane?
The InChIKey is FSGRWNRLVOMTOT-JTQLQIEISA-N. The full InChI is InChI=1S/C5H7N3OS/c1-10(6,9)5-7-3-2-4-8-5/h2-4,6H,1H3/t10-/m0/s1.
What are the key properties of imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane?
imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane has a molecular weight of 157.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane is sourced from PubChem (CID 125424928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).