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

C10H11N5O2 — CID 131924767

IUPAC2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nonc2C)cn1
InChIInChI=1S/C10H11N5O2/c1-6-9(15-17-14-6)5-13-10(16)8-3-11-7(2)12-4-8/h3-4H,5H2,1-2H3,(H,13,16)
InChIKeyGNWXJJFISSTZCF-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.41
Rot. Bonds3

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

2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 131924767) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
PubChem CID131924767
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nonc2C)cn1
InChIInChI=1S/C10H11N5O2/c1-6-9(15-17-14-6)5-13-10(16)8-3-11-7(2)12-4-8/h3-4H,5H2,1-2H3,(H,13,16)
InChIKeyGNWXJJFISSTZCF-UHFFFAOYSA-N
XLogP0.41
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide (CID 131924767) is 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2nonc2C)cn1.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is GNWXJJFISSTZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-6-9(15-17-14-6)5-13-10(16)8-3-11-7(2)12-4-8/h3-4H,5H2,1-2H3,(H,13,16).
What are the key properties of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 131924767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).