2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide

C15H18N4O2 — CID 80988828

IUPAC2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide
SMILESCc1c(N)nc(C(C)C)nc1Oc1ccccc1C(N)=O
InChIInChI=1S/C15H18N4O2/c1-8(2)14-18-12(16)9(3)15(19-14)21-11-7-5-4-6-10(11)13(17)20/h4-8H,1-3H3,(H2,17,20)(H2,16,18,19)
InChIKeyYFBBPEISIWOYCA-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.38
Rot. Bonds4

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

2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide (PubChem CID 80988828) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide
PubChem CID80988828
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide
SMILESCc1c(N)nc(C(C)C)nc1Oc1ccccc1C(N)=O
InChIInChI=1S/C15H18N4O2/c1-8(2)14-18-12(16)9(3)15(19-14)21-11-7-5-4-6-10(11)13(17)20/h4-8H,1-3H3,(H2,17,20)(H2,16,18,19)
InChIKeyYFBBPEISIWOYCA-UHFFFAOYSA-N
XLogP2.38
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.38
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-propan-2-ylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide (CID 80988828) is 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide is Cc1c(N)nc(C(C)C)nc1Oc1ccccc1C(N)=O.
What is the InChIKey of 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide?
The InChIKey is YFBBPEISIWOYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-8(2)14-18-12(16)9(3)15(19-14)21-11-7-5-4-6-10(11)13(17)20/h4-8H,1-3H3,(H2,17,20)(H2,16,18,19).
What are the key properties of 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide?
2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzamide has a molecular weight of 286.34 g/mol, XLogP of 2.38, 4 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-propan-2-ylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 80988828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).