4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine

C8H10N6O — CID 144810679

IUPAC4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(N)c1-c1nnc(C)o1
InChIInChI=1S/C8H10N6O/c1-4-13-14-8(15-4)5-6(9)11-3-12-7(5)10-2/h3H,1-2H3,(H3,9,10,11,12)
InChIKeyPXFIFCKFSWPYNS-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.46
Rot. Bonds2

About 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine

4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine (PubChem CID 144810679) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine
PubChem CID144810679
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(N)c1-c1nnc(C)o1
InChIInChI=1S/C8H10N6O/c1-4-13-14-8(15-4)5-6(9)11-3-12-7(5)10-2/h3H,1-2H3,(H3,9,10,11,12)
InChIKeyPXFIFCKFSWPYNS-UHFFFAOYSA-N
XLogP0.46
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine (CID 144810679) is 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine is CNc1ncnc(N)c1-c1nnc(C)o1.
What is the InChIKey of 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
The InChIKey is PXFIFCKFSWPYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-4-13-14-8(15-4)5-6(9)11-3-12-7(5)10-2/h3H,1-2H3,(H3,9,10,11,12).
What are the key properties of 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine has a molecular weight of 206.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 144810679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).