N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide

C17H26N6O3 — CID 135990809

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)CC2C(=O)NCCN2C2CCCC2)n1
InChIInChI=1S/C17H26N6O3/c18-13-10-16(25)22-14(21-13)5-6-19-15(24)9-12-17(26)20-7-8-23(12)11-3-1-2-4-11/h10-12H,1-9H2,(H,19,24)(H,20,26)(H3,18,21,22,25)
InChIKeyKCRQJLLQUFSPNC-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.86
Rot. Bonds6

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide (PubChem CID 135990809) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
PubChem CID135990809
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)CC2C(=O)NCCN2C2CCCC2)n1
InChIInChI=1S/C17H26N6O3/c18-13-10-16(25)22-14(21-13)5-6-19-15(24)9-12-17(26)20-7-8-23(12)11-3-1-2-4-11/h10-12H,1-9H2,(H,19,24)(H,20,26)(H3,18,21,22,25)
InChIKeyKCRQJLLQUFSPNC-UHFFFAOYSA-N
XLogP-0.86
TPSA133.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide with MolForge

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Related Compounds

2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one
CID 71212254
N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 56890314
N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 95713261
N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 95713262
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]acetamide
CID 135990848
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]acetamide
CID 136083848
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136100501
2-(1-isopropyl-3-oxo-2-piperazinyl)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]acetamide
CID 136100621
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]acetamide
CID 136102611
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]acetamide
CID 136112918
N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 136205497
N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 136205498

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide (CID 135990809) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide is Nc1cc(=O)[nH]c(CCNC(=O)CC2C(=O)NCCN2C2CCCC2)n1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide?
The InChIKey is KCRQJLLQUFSPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c18-13-10-16(25)22-14(21-13)5-6-19-15(24)9-12-17(26)20-7-8-23(12)11-3-1-2-4-11/h10-12H,1-9H2,(H,19,24)(H,20,26)(H3,18,21,22,25).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide has a molecular weight of 362.43 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 135990809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).