N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide

C21H26N6O2 — CID 44589890

IUPACN-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(OCCN(C)C)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C21H26N6O2/c1-14-11-15(2)27(25-14)21-23-19(13-20(24-21)22-16(3)28)17-7-6-8-18(12-17)29-10-9-26(4)5/h6-8,11-13H,9-10H2,1-5H3,(H,22,23,24,28)
InChIKeyQDJLUTOVYOOCPC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.84
Rot. Bonds7

About N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide

N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 44589890) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
PubChem CID44589890
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(OCCN(C)C)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C21H26N6O2/c1-14-11-15(2)27(25-14)21-23-19(13-20(24-21)22-16(3)28)17-7-6-8-18(12-17)29-10-9-26(4)5/h6-8,11-13H,9-10H2,1-5H3,(H,22,23,24,28)
InChIKeyQDJLUTOVYOOCPC-UHFFFAOYSA-N
XLogP2.84
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (CID 44589890) is N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(OCCN(C)C)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is QDJLUTOVYOOCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14-11-15(2)27(25-14)21-23-19(13-20(24-21)22-16(3)28)17-7-6-8-18(12-17)29-10-9-26(4)5/h6-8,11-13H,9-10H2,1-5H3,(H,22,23,24,28).
What are the key properties of N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44589890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).