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

C11H16N6O — CID 114187027

IUPAC2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCCc2noc(C)n2)n1
InChIInChI=1S/C11H16N6O/c1-7-6-14-11(12-3)16-10(7)13-5-4-9-15-8(2)18-17-9/h6H,4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyQIMFPTQCGGDRIJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.17
Rot. Bonds5

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

2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 114187027) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID114187027
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCCc2noc(C)n2)n1
InChIInChI=1S/C11H16N6O/c1-7-6-14-11(12-3)16-10(7)13-5-4-9-15-8(2)18-17-9/h6H,4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyQIMFPTQCGGDRIJ-UHFFFAOYSA-N
XLogP1.17
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106424196
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726
5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424216
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80835831
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
5-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424263
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103710810
5-bromo-2-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114185566
5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186371

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 114187027) is 2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine is CNc1ncc(C)c(NCCc2noc(C)n2)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is QIMFPTQCGGDRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-6-14-11(12-3)16-10(7)13-5-4-9-15-8(2)18-17-9/h6H,4-5H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114187027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).