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

C12H16N4OS2 — CID 106928397

IUPAC6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2nc(C)co2)nc(SC)n1
InChIInChI=1S/C12H16N4OS2/c1-4-5-13-9-6-10(16-11(15-9)18-3)19-12-14-8(2)7-17-12/h6-7H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyOBDNPFUQZVLPSJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.47
Rot. Bonds6

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

6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 106928397) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID106928397
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2nc(C)co2)nc(SC)n1
InChIInChI=1S/C12H16N4OS2/c1-4-5-13-9-6-10(16-11(15-9)18-3)19-12-14-8(2)7-17-12/h6-7H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyOBDNPFUQZVLPSJ-UHFFFAOYSA-N
XLogP3.47
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine
CID 106928540
2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80893301
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882787
2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80894797
6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765595
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765811
2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923473
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397
[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 106928837

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 106928397) is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(Sc2nc(C)co2)nc(SC)n1.
What is the InChIKey of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is OBDNPFUQZVLPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-4-5-13-9-6-10(16-11(15-9)18-3)19-12-14-8(2)7-17-12/h6-7H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine?
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106928397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).