2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide

C19H26N6O — CID 56875539

IUPAC2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2nccc(-c3ccc(C)nc3C)n2)CC1
InChIInChI=1S/C19H26N6O/c1-4-20-18(26)13-24-9-11-25(12-10-24)19-21-8-7-17(23-19)16-6-5-14(2)22-15(16)3/h5-8H,4,9-13H2,1-3H3,(H,20,26)
InChIKeyXEGTVIICMQLUHO-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.41
Rot. Bonds5

About 2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide

2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 56875539) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide
PubChem CID56875539
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2nccc(-c3ccc(C)nc3C)n2)CC1
InChIInChI=1S/C19H26N6O/c1-4-20-18(26)13-24-9-11-25(12-10-24)19-21-8-7-17(23-19)16-6-5-14(2)22-15(16)3/h5-8H,4,9-13H2,1-3H3,(H,20,26)
InChIKeyXEGTVIICMQLUHO-UHFFFAOYSA-N
XLogP1.41
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide (CID 56875539) is 2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(c2nccc(-c3ccc(C)nc3C)n2)CC1.
What is the InChIKey of 2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is XEGTVIICMQLUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-4-20-18(26)13-24-9-11-25(12-10-24)19-21-8-7-17(23-19)16-6-5-14(2)22-15(16)3/h5-8H,4,9-13H2,1-3H3,(H,20,26).
What are the key properties of 2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 354.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 56875539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).