2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide

C16H19N3O4 — CID 5006468

IUPAC2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide
SMILESCOc1cc(Oc2ccccc2C(=O)NC(C)C)nc(OC)n1
InChIInChI=1S/C16H19N3O4/c1-10(2)17-15(20)11-7-5-6-8-12(11)23-14-9-13(21-3)18-16(19-14)22-4/h5-10H,1-4H3,(H,17,20)
InChIKeyNHCZPFRWXAVJKQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.42
Rot. Bonds6

About 2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide

2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide (PubChem CID 5006468) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide
PubChem CID5006468
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide
SMILESCOc1cc(Oc2ccccc2C(=O)NC(C)C)nc(OC)n1
InChIInChI=1S/C16H19N3O4/c1-10(2)17-15(20)11-7-5-6-8-12(11)23-14-9-13(21-3)18-16(19-14)22-4/h5-10H,1-4H3,(H,17,20)
InChIKeyNHCZPFRWXAVJKQ-UHFFFAOYSA-N
XLogP2.42
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide?
The IUPAC name of 2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide (CID 5006468) is 2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide is COc1cc(Oc2ccccc2C(=O)NC(C)C)nc(OC)n1.
What is the InChIKey of 2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide?
The InChIKey is NHCZPFRWXAVJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10(2)17-15(20)11-7-5-6-8-12(11)23-14-9-13(21-3)18-16(19-14)22-4/h5-10H,1-4H3,(H,17,20).
What are the key properties of 2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide?
2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide has a molecular weight of 317.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxypyrimidin-4-yl)oxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 5006468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).