N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide

C15H25N5O2 — CID 136673297

IUPACN,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H25N5O2/c1-4-19(5-2)14(22)11-18-6-8-20(9-7-18)15-16-12(3)10-13(21)17-15/h10H,4-9,11H2,1-3H3,(H,16,17,21)
InChIKeyXCFZRDIMOASPQB-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.07
Rot. Bonds5

About N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide

N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 136673297) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID136673297
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H25N5O2/c1-4-19(5-2)14(22)11-18-6-8-20(9-7-18)15-16-12(3)10-13(21)17-15/h10H,4-9,11H2,1-3H3,(H,16,17,21)
InChIKeyXCFZRDIMOASPQB-UHFFFAOYSA-N
XLogP0.07
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (CID 136673297) is N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(c2nc(C)cc(=O)[nH]2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is XCFZRDIMOASPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-4-19(5-2)14(22)11-18-6-8-20(9-7-18)15-16-12(3)10-13(21)17-15/h10H,4-9,11H2,1-3H3,(H,16,17,21).
What are the key properties of N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 307.40 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 136673297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).