2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine

C9H11N5O — CID 106403332

IUPAC2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2ncon2)nc(C)n1
InChIInChI=1S/C9H11N5O/c1-6-3-8(13-7(2)12-6)10-4-9-11-5-15-14-9/h3,5H,4H2,1-2H3,(H,10,12,13)
InChIKeyMMHUZRAGDGJMOH-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.09
Rot. Bonds3

About 2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine

2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine (PubChem CID 106403332) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
PubChem CID106403332
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2ncon2)nc(C)n1
InChIInChI=1S/C9H11N5O/c1-6-3-8(13-7(2)12-6)10-4-9-11-5-15-14-9/h3,5H,4H2,1-2H3,(H,10,12,13)
InChIKeyMMHUZRAGDGJMOH-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

6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106405420
6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412529
3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106403164
6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411776
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 78974618
2-(ethylamino)-6-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106408556
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403520
6-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 114184724
6-methoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403349
2,6-dimethyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106419057
2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114185590

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine (CID 106403332) is 2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine is Cc1cc(NCc2ncon2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is MMHUZRAGDGJMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-3-8(13-7(2)12-6)10-4-9-11-5-15-14-9/h3,5H,4H2,1-2H3,(H,10,12,13).
What are the key properties of 2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-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 2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106403332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).