5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C11H15N7O2 — CID 72844015

IUPAC5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCc1cnc(N)nc1NCc1nc(C(=O)NC)no1
InChIInChI=1S/C11H15N7O2/c1-3-6-4-15-11(12)17-8(6)14-5-7-16-9(18-20-7)10(19)13-2/h4H,3,5H2,1-2H3,(H,13,19)(H3,12,14,15,17)
InChIKeyRIBCLONINHRQPY-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.02
Rot. Bonds5

About 5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 72844015) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID72844015
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCc1cnc(N)nc1NCc1nc(C(=O)NC)no1
InChIInChI=1S/C11H15N7O2/c1-3-6-4-15-11(12)17-8(6)14-5-7-16-9(18-20-7)10(19)13-2/h4H,3,5H2,1-2H3,(H,13,19)(H3,12,14,15,17)
InChIKeyRIBCLONINHRQPY-UHFFFAOYSA-N
XLogP-0.02
TPSA131.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 72844015) is 5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CCc1cnc(N)nc1NCc1nc(C(=O)NC)no1.
What is the InChIKey of 5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RIBCLONINHRQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-3-6-4-15-11(12)17-8(6)14-5-7-16-9(18-20-7)10(19)13-2/h4H,3,5H2,1-2H3,(H,13,19)(H3,12,14,15,17).
What are the key properties of 5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 277.29 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 72844015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).