N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine

C12H17N5OS — CID 80891828

IUPACN-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2nnc(C)o2)c1C(C)C
InChIInChI=1S/C12H17N5OS/c1-5-13-10-9(7(2)3)11(15-6-14-10)19-12-17-16-8(4)18-12/h6-7H,5H2,1-4H3,(H,13,14,15)
InChIKeyDEIXIESASWJOET-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.87
Rot. Bonds5

About N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine

N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80891828) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID80891828
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2nnc(C)o2)c1C(C)C
InChIInChI=1S/C12H17N5OS/c1-5-13-10-9(7(2)3)11(15-6-14-10)19-12-17-16-8(4)18-12/h6-7H,5H2,1-4H3,(H,13,14,15)
InChIKeyDEIXIESASWJOET-UHFFFAOYSA-N
XLogP2.87
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80892659
[6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923681
N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892356
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 115384440
6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80888128
N-ethyl-6-(2-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80884434
N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80891600
3,5-dichloro-N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761451
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80895438
6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80889045
2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
CID 63732079
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine (CID 80891828) is N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(Sc2nnc(C)o2)c1C(C)C.
What is the InChIKey of N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is DEIXIESASWJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-5-13-10-9(7(2)3)11(15-6-14-10)19-12-17-16-8(4)18-12/h6-7H,5H2,1-4H3,(H,13,14,15).
What are the key properties of N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80891828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).