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

C11H15N5OS — CID 80891600

IUPACN-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1nc(C)nc(Sc2nnc(C)o2)c1C
InChIInChI=1S/C11H15N5OS/c1-5-12-9-6(2)10(14-7(3)13-9)18-11-16-15-8(4)17-11/h5H2,1-4H3,(H,12,13,14)
InChIKeyCQMWLMIFXJZNFU-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.37
Rot. Bonds4

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

N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80891600) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80891600
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1nc(C)nc(Sc2nnc(C)o2)c1C
InChIInChI=1S/C11H15N5OS/c1-5-12-9-6(2)10(14-7(3)13-9)18-11-16-15-8(4)17-11/h5H2,1-4H3,(H,12,13,14)
InChIKeyCQMWLMIFXJZNFU-UHFFFAOYSA-N
XLogP2.37
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dichloro-N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761451
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80891828
N-ethyl-2,5-dimethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80895358
6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80890159
2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80891676
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 106928644
N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892356
N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80892730
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928319
2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893952
3-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80883349
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 79239234

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80891600) is N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine is CCNc1nc(C)nc(Sc2nnc(C)o2)c1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is CQMWLMIFXJZNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-5-12-9-6(2)10(14-7(3)13-9)18-11-16-15-8(4)17-11/h5H2,1-4H3,(H,12,13,14).
What are the key properties of N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 265.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80891600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).