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

C17H28N6O3 — CID 136782813

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C17H28N6O3/c1-11(2)4-7-23-8-6-20-17(26)12(23)9-15(24)19-5-3-14-21-13(18)10-16(25)22-14/h10-12H,3-9H2,1-2H3,(H,19,24)(H,20,26)(H3,18,21,22,25)/t12-/m0/s1
InChIKeyJMSFBYPTYIPXNJ-LBPRGKRZSA-N
MW364.45 g/mol
LogP-0.75
Rot. Bonds8

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

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 136782813) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID136782813
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C17H28N6O3/c1-11(2)4-7-23-8-6-20-17(26)12(23)9-15(24)19-5-3-14-21-13(18)10-16(25)22-14/h10-12H,3-9H2,1-2H3,(H,19,24)(H,20,26)(H3,18,21,22,25)/t12-/m0/s1
InChIKeyJMSFBYPTYIPXNJ-LBPRGKRZSA-N
XLogP-0.75
TPSA133.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[2-(6-hydroxy-4-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136112866
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
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-cyclopentyl-3-oxo-2-piperazinyl)acetamide
CID 135990809
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-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-(1-isopropyl-3-oxopiperazin-2-yl)acetamide
CID 136187915

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide (CID 136782813) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide is CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is JMSFBYPTYIPXNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-11(2)4-7-23-8-6-20-17(26)12(23)9-15(24)19-5-3-14-21-13(18)10-16(25)22-14/h10-12H,3-9H2,1-2H3,(H,19,24)(H,20,26)(H3,18,21,22,25)/t12-/m0/s1.
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of -0.75, 8 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-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 136782813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).