N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine

C11H14N4OS2 — CID 106928540

IUPACN-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2nc(C)co2)nc(SC)n1
InChIInChI=1S/C11H14N4OS2/c1-4-12-8-5-9(15-10(14-8)17-3)18-11-13-7(2)6-16-11/h5-6H,4H2,1-3H3,(H,12,14,15)
InChIKeyCBNVZHXKEMRREA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.08
Rot. Bonds5

About N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine

N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 106928540) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID106928540
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC NameN-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2nc(C)co2)nc(SC)n1
InChIInChI=1S/C11H14N4OS2/c1-4-12-8-5-9(15-10(14-8)17-3)18-11-13-7(2)6-16-11/h5-6H,4H2,1-3H3,(H,12,14,15)
InChIKeyCBNVZHXKEMRREA-UHFFFAOYSA-N
XLogP3.08
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 106928397
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-amine
CID 106928438
6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80892361
6-(2,5-difluorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80884881
2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923473
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanyl-2-methylsulfanylpyrimidin-4-amine
CID 80892324
N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine
CID 80893554
[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 106928837
2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80893301
3-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80895045
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 106928502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine (CID 106928540) is N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(Sc2nc(C)co2)nc(SC)n1.
What is the InChIKey of N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is CBNVZHXKEMRREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-4-12-8-5-9(15-10(14-8)17-3)18-11-13-7(2)6-16-11/h5-6H,4H2,1-3H3,(H,12,14,15).
What are the key properties of N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine?
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106928540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).