N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide

C12H21N5O — CID 70286807

IUPACN-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C2=NCCC=N2)CC1
InChIInChI=1S/C12H21N5O/c1-11(18)13-5-6-16-7-9-17(10-8-16)12-14-3-2-4-15-12/h3H,2,4-10H2,1H3,(H,13,18)
InChIKeyYKKDMEKNTFOAPN-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.43
Rot. Bonds3

About N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide

N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide (PubChem CID 70286807) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide
PubChem CID70286807
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C2=NCCC=N2)CC1
InChIInChI=1S/C12H21N5O/c1-11(18)13-5-6-16-7-9-17(10-8-16)12-14-3-2-4-15-12/h3H,2,4-10H2,1H3,(H,13,18)
InChIKeyYKKDMEKNTFOAPN-UHFFFAOYSA-N
XLogP-0.43
TPSA60.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,4,5,6-Tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 20715743
1-[4-(5-Methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 130244789
3-oxo-N'-propylpiperazine-1-carboximidamide
CID 62359556
2-[2-(4-Acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine
CID 110927190
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine
CID 110927200
4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide
CID 110962731
4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide
CID 110962955
4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide
CID 110962959
4-acetyl-N,N'-diethylpiperazine-1-carboximidamide
CID 110962961
4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963139
4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110963188
4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide
CID 110963189

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide (CID 70286807) is N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(C2=NCCC=N2)CC1.
What is the InChIKey of N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is YKKDMEKNTFOAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-11(18)13-5-6-16-7-9-17(10-8-16)12-14-3-2-4-15-12/h3H,2,4-10H2,1H3,(H,13,18).
What are the key properties of N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dihydropyrimidin-2-yl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70286807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).