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

C12H18N6O — CID 106424216

IUPAC5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCCc1noc(C)n1
InChIInChI=1S/C12H18N6O/c1-4-9-11(13-3)15-7-16-12(9)14-6-5-10-17-8(2)19-18-10/h7H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyMAIYZWIXRMDJTR-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.43
Rot. Bonds6

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

5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106424216) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID106424216
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCCc1noc(C)n1
InChIInChI=1S/C12H18N6O/c1-4-9-11(13-3)15-7-16-12(9)14-6-5-10-17-8(2)19-18-10/h7H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyMAIYZWIXRMDJTR-UHFFFAOYSA-N
XLogP1.43
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
6-N-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106424272
5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424292
6-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114185738
2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114187027
5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80804231
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424383
6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424681
5-ethyl-6-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106424754
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80785119
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 106424216) is 5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is CCc1c(NC)ncnc1NCCc1noc(C)n1.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is MAIYZWIXRMDJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-9-11(13-3)15-7-16-12(9)14-6-5-10-17-8(2)19-18-10/h7H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 262.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106424216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).