N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C19H31N5O2 — CID 72928149

IUPACN-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCN(c2ncccn2)CC1)C1CCOC(C)(C)C1
InChIInChI=1S/C19H31N5O2/c1-4-24(16-6-13-26-19(2,3)14-16)17(25)15-22-9-11-23(12-10-22)18-20-7-5-8-21-18/h5,7-8,16H,4,6,9-15H2,1-3H3
InChIKeyMHBWSLJLWSZYOZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.40
Rot. Bonds5

About N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 72928149) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID72928149
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCN(c2ncccn2)CC1)C1CCOC(C)(C)C1
InChIInChI=1S/C19H31N5O2/c1-4-24(16-6-13-26-19(2,3)14-16)17(25)15-22-9-11-23(12-10-22)18-20-7-5-8-21-18/h5,7-8,16H,4,6,9-15H2,1-3H3
InChIKeyMHBWSLJLWSZYOZ-UHFFFAOYSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 72928149) is N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CCN(C(=O)CN1CCN(c2ncccn2)CC1)C1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is MHBWSLJLWSZYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-4-24(16-6-13-26-19(2,3)14-16)17(25)15-22-9-11-23(12-10-22)18-20-7-5-8-21-18/h5,7-8,16H,4,6,9-15H2,1-3H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 72928149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).