4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile

C10H9N5OS — CID 40756788

IUPAC4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile
SMILESCc1cc(CSc2ncc(C#N)c(N)n2)on1
InChIInChI=1S/C10H9N5OS/c1-6-2-8(16-15-6)5-17-10-13-4-7(3-11)9(12)14-10/h2,4H,5H2,1H3,(H2,12,13,14)
InChIKeyRGIBNHADUHPLQK-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.52
Rot. Bonds3

About 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile

4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile (PubChem CID 40756788) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile
PubChem CID40756788
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile
SMILESCc1cc(CSc2ncc(C#N)c(N)n2)on1
InChIInChI=1S/C10H9N5OS/c1-6-2-8(16-15-6)5-17-10-13-4-7(3-11)9(12)14-10/h2,4H,5H2,1H3,(H2,12,13,14)
InChIKeyRGIBNHADUHPLQK-UHFFFAOYSA-N
XLogP1.52
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile (CID 40756788) is 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile is Cc1cc(CSc2ncc(C#N)c(N)n2)on1.
What is the InChIKey of 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile?
The InChIKey is RGIBNHADUHPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c1-6-2-8(16-15-6)5-17-10-13-4-7(3-11)9(12)14-10/h2,4H,5H2,1H3,(H2,12,13,14).
What are the key properties of 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile?
4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile has a molecular weight of 247.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 40756788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).