6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H13F3N4OS — CID 106928456

IUPAC6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNC1=CC(=NC(=N1)C(F)(F)F)SC2=NC(=CO2)C
InChIInChI=1S/C12H13F3N4OS/c1-3-4-16-8-5-9(19-10(18-8)12(13,14)15)21-11-17-7(2)6-20-11/h5-6H,3-4H2,1-2H3,(H,16,18,19)
InChIKeySQNZSTUFXNXKPF-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.90
Rot. Bonds5

About 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106928456) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106928456
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNC1=CC(=NC(=N1)C(F)(F)F)SC2=NC(=CO2)C
InChIInChI=1S/C12H13F3N4OS/c1-3-4-16-8-5-9(19-10(18-8)12(13,14)15)21-11-17-7(2)6-20-11/h5-6H,3-4H2,1-2H3,(H,16,18,19)
InChIKeySQNZSTUFXNXKPF-UHFFFAOYSA-N
XLogP3.90
TPSA89.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity334

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923413
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923419
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928238
6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928261
N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928386
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928405
N-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928434
5-fluoro-N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928448
5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928449
N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928508
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928509
5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928514

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106928456) is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNC1=CC(=NC(=N1)C(F)(F)F)SC2=NC(=CO2)C.
What is the InChIKey of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SQNZSTUFXNXKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-3-4-16-8-5-9(19-10(18-8)12(13,14)15)21-11-17-7(2)6-20-11/h5-6H,3-4H2,1-2H3,(H,16,18,19).
What are the key properties of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 318.32 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106928456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).