6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione

C8H8N4OS — CID 175883090

IUPAC6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione
SMILESCc1cc(Nc2ccnc(=S)[nH]2)no1
InChIInChI=1S/C8H8N4OS/c1-5-4-7(12-13-5)10-6-2-3-9-8(14)11-6/h2-4H,1H3,(H2,9,10,11,12,14)
InChIKeySZUAZMMNUGHDNG-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.18
Rot. Bonds2

About 6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione

6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione (PubChem CID 175883090) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione
PubChem CID175883090
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione
SMILESCc1cc(Nc2ccnc(=S)[nH]2)no1
InChIInChI=1S/C8H8N4OS/c1-5-4-7(12-13-5)10-6-2-3-9-8(14)11-6/h2-4H,1H3,(H2,9,10,11,12,14)
InChIKeySZUAZMMNUGHDNG-UHFFFAOYSA-N
XLogP2.18
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione?
The IUPAC name of 6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione (CID 175883090) is 6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione?
The canonical SMILES for 6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione is Cc1cc(Nc2ccnc(=S)[nH]2)no1.
What is the InChIKey of 6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione?
The InChIKey is SZUAZMMNUGHDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-5-4-7(12-13-5)10-6-2-3-9-8(14)11-6/h2-4H,1H3,(H2,9,10,11,12,14).
What are the key properties of 6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione?
6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione has a molecular weight of 208.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione is sourced from PubChem (CID 175883090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).