2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide

C15H18N4O2 — CID 80988829

IUPAC2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide
SMILESCCCc1nc(N)c(C)c(Oc2ccccc2C(N)=O)n1
InChIInChI=1S/C15H18N4O2/c1-3-6-12-18-13(16)9(2)15(19-12)21-11-8-5-4-7-10(11)14(17)20/h4-5,7-8H,3,6H2,1-2H3,(H2,17,20)(H2,16,18,19)
InChIKeyQBXHUMRNBHXWJG-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.21
Rot. Bonds5

About 2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide

2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide (PubChem CID 80988829) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide
PubChem CID80988829
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide
SMILESCCCc1nc(N)c(C)c(Oc2ccccc2C(N)=O)n1
InChIInChI=1S/C15H18N4O2/c1-3-6-12-18-13(16)9(2)15(19-12)21-11-8-5-4-7-10(11)14(17)20/h4-5,7-8H,3,6H2,1-2H3,(H2,17,20)(H2,16,18,19)
InChIKeyQBXHUMRNBHXWJG-UHFFFAOYSA-N
XLogP2.21
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of 2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide (CID 80988829) is 2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide is CCCc1nc(N)c(C)c(Oc2ccccc2C(N)=O)n1.
What is the InChIKey of 2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide?
The InChIKey is QBXHUMRNBHXWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-6-12-18-13(16)9(2)15(19-12)21-11-8-5-4-7-10(11)14(17)20/h4-5,7-8H,3,6H2,1-2H3,(H2,17,20)(H2,16,18,19).
What are the key properties of 2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide?
2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide has a molecular weight of 286.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 80988829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).