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

C8H10N6O — CID 106392946

IUPAC4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
SMILESCc1nc(CNc2ncncc2N)no1
InChIInChI=1S/C8H10N6O/c1-5-13-7(14-15-5)3-11-8-6(9)2-10-4-12-8/h2,4H,3,9H2,1H3,(H,10,11,12)
InChIKeyRCAFUOKYPUQOFW-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.36
Rot. Bonds3

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

4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine (PubChem CID 106392946) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
PubChem CID106392946
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
SMILESCc1nc(CNc2ncncc2N)no1
InChIInChI=1S/C8H10N6O/c1-5-13-7(14-15-5)3-11-8-6(9)2-10-4-12-8/h2,4H,3,9H2,1H3,(H,10,11,12)
InChIKeyRCAFUOKYPUQOFW-UHFFFAOYSA-N
XLogP0.36
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 79917521
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114185482
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411585
2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine
CID 106393181
3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 106402597
6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114185580
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 79918373
4,5-dimethoxy-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2-diamine
CID 106393136
6-hydrazinyl-2,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 106412399
6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703166

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine (CID 106392946) is 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine is Cc1nc(CNc2ncncc2N)no1.
What is the InChIKey of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine?
The InChIKey is RCAFUOKYPUQOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-5-13-7(14-15-5)3-11-8-6(9)2-10-4-12-8/h2,4H,3,9H2,1H3,(H,10,11,12).
What are the key properties of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine?
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine has a molecular weight of 206.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 106392946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).