3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine

C9H11N5O — CID 106659595

IUPAC3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1nccc(CNc2nc(C)no2)n1
InChIInChI=1S/C9H11N5O/c1-6-10-4-3-8(12-6)5-11-9-13-7(2)14-15-9/h3-4H,5H2,1-2H3,(H,11,13,14)
InChIKeyRCKQGWRIHNPJLK-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.09
Rot. Bonds3

About 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine

3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 106659595) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID106659595
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1nccc(CNc2nc(C)no2)n1
InChIInChI=1S/C9H11N5O/c1-6-10-4-3-8(12-6)5-11-9-13-7(2)14-15-9/h3-4H,5H2,1-2H3,(H,11,13,14)
InChIKeyRCKQGWRIHNPJLK-UHFFFAOYSA-N
XLogP1.09
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106403164
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747499
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659990
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 107911446
N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79507389
N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 62746951
2,3,5,6-tetrafluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 107644035

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine (CID 106659595) is 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine is Cc1nccc(CNc2nc(C)no2)n1.
What is the InChIKey of 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is RCKQGWRIHNPJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-10-4-3-8(12-6)5-11-9-13-7(2)14-15-9/h3-4H,5H2,1-2H3,(H,11,13,14).
What are the key properties of 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 205.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).