N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide

C14H21N5O3 — CID 72909858

IUPACN-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2cnc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H21N5O3/c1-3-15-12(20)9-18-4-6-19(7-5-18)14(22)11-8-16-10(2)17-13(11)21/h8H,3-7,9H2,1-2H3,(H,15,20)(H,16,17,21)
InChIKeyUZCDKURMIFXUNL-UHFFFAOYSA-N
MW307.35 g/mol
LogP-1.03
Rot. Bonds4

About N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide

N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 72909858) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID72909858
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC NameN-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2cnc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H21N5O3/c1-3-15-12(20)9-18-4-6-19(7-5-18)14(22)11-8-16-10(2)17-13(11)21/h8H,3-7,9H2,1-2H3,(H,15,20)(H,16,17,21)
InChIKeyUZCDKURMIFXUNL-UHFFFAOYSA-N
XLogP-1.03
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2-methylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50959516
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
3-(3-Oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 60718101
5-Bromo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66308580
5-Iodo-2-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66340276
5-Iodo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66340706
5-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-4(3H)-pyrimidinone
CID 70746516
2-Methyl-5-{[3-(2-methylpiperidin-1-yl)azetidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72877288
3-Butyl-4-[(4-hydroxy-2-methylpyrimidin-5-yl)carbonyl]-1-methylpiperazin-2-one
CID 72878704
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide (CID 72909858) is N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(C(=O)c2cnc(C)[nH]c2=O)CC1.
What is the InChIKey of N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is UZCDKURMIFXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-3-15-12(20)9-18-4-6-19(7-5-18)14(22)11-8-16-10(2)17-13(11)21/h8H,3-7,9H2,1-2H3,(H,15,20)(H,16,17,21).
What are the key properties of N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide?
N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 307.35 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 72909858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).