N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide

C13H21N3O3 — CID 70419068

IUPACN-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)Nc1c(OC)ncnc1OC
InChIInChI=1S/C13H21N3O3/c1-6-7-13(2,3)12(17)16-9-10(18-4)14-8-15-11(9)19-5/h8H,6-7H2,1-5H3,(H,16,17)
InChIKeyAAIPKPQZWPHZFB-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.26
Rot. Bonds6

About N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide

N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide (PubChem CID 70419068) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide
PubChem CID70419068
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)Nc1c(OC)ncnc1OC
InChIInChI=1S/C13H21N3O3/c1-6-7-13(2,3)12(17)16-9-10(18-4)14-8-15-11(9)19-5/h8H,6-7H2,1-5H3,(H,16,17)
InChIKeyAAIPKPQZWPHZFB-UHFFFAOYSA-N
XLogP2.26
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide (CID 70419068) is N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide is CCCC(C)(C)C(=O)Nc1c(OC)ncnc1OC.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide?
The InChIKey is AAIPKPQZWPHZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-6-7-13(2,3)12(17)16-9-10(18-4)14-8-15-11(9)19-5/h8H,6-7H2,1-5H3,(H,16,17).
What are the key properties of N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide?
N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide has a molecular weight of 267.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-5-yl)-2,2-dimethylpentanamide is sourced from PubChem (CID 70419068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).