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

C10H13N5O2 — CID 103744798

IUPAC4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCc2ncon2)n1
InChIInChI=1S/C10H13N5O2/c1-7-5-9(16-2)14-10(13-7)11-4-3-8-12-6-17-15-8/h5-6H,3-4H2,1-2H3,(H,11,13,14)
InChIKeyBRFNDCZNGKYBKW-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.83
Rot. Bonds5

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

4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 103744798) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID103744798
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCc2ncon2)n1
InChIInChI=1S/C10H13N5O2/c1-7-5-9(16-2)14-10(13-7)11-4-3-8-12-6-17-15-8/h5-6H,3-4H2,1-2H3,(H,11,13,14)
InChIKeyBRFNDCZNGKYBKW-UHFFFAOYSA-N
XLogP0.83
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106418468
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106404662
N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 166233772
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
4-N-ethyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 106412322
4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489508
6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106412361
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
N-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667
4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 115355225
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-4-amine
CID 106404416

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine (CID 103744798) is 4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine is COc1cc(C)nc(NCCc2ncon2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is BRFNDCZNGKYBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-7-5-9(16-2)14-10(13-7)11-4-3-8-12-6-17-15-8/h5-6H,3-4H2,1-2H3,(H,11,13,14).
What are the key properties of 4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 235.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 103744798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).