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

C10H15N7O — CID 80813441

IUPAC6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2nc(C)no2)nc(N)n1
InChIInChI=1S/C10H15N7O/c1-3-12-7-4-8(16-10(11)15-7)13-5-9-14-6(2)17-18-9/h4H,3,5H2,1-2H3,(H4,11,12,13,15,16)
InChIKeyMCQWQUIXKVZNQW-UHFFFAOYSA-N
MW249.28 g/mol
LogP0.79
Rot. Bonds5

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

6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 80813441) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID80813441
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2nc(C)no2)nc(N)n1
InChIInChI=1S/C10H15N7O/c1-3-12-7-4-8(16-10(11)15-7)13-5-9-14-6(2)17-18-9/h4H,3,5H2,1-2H3,(H4,11,12,13,15,16)
InChIKeyMCQWQUIXKVZNQW-UHFFFAOYSA-N
XLogP0.79
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine (CID 80813441) is 6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine is CCNc1cc(NCc2nc(C)no2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is MCQWQUIXKVZNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-3-12-7-4-8(16-10(11)15-7)13-5-9-14-6(2)17-18-9/h4H,3,5H2,1-2H3,(H4,11,12,13,15,16).
What are the key properties of 6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 249.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80813441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).