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

C17H28N6O3 — CID 136782800

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C17H28N6O3/c1-17(2,3)10-23-7-6-20-16(26)11(23)8-14(24)19-5-4-13-21-12(18)9-15(25)22-13/h9,11H,4-8,10H2,1-3H3,(H,19,24)(H,20,26)(H3,18,21,22,25)/t11-/m1/s1
InChIKeyFGWFRTDFVLVRCY-LLVKDONJSA-N
MW364.45 g/mol
LogP-0.75
Rot. Bonds6

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

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 136782800) 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-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID136782800
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C17H28N6O3/c1-17(2,3)10-23-7-6-20-16(26)11(23)8-14(24)19-5-4-13-21-12(18)9-15(25)22-13/h9,11H,4-8,10H2,1-3H3,(H,19,24)(H,20,26)(H3,18,21,22,25)/t11-/m1/s1
InChIKeyFGWFRTDFVLVRCY-LLVKDONJSA-N
XLogP-0.75
TPSA133.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136733916
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 45210398
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 45227464
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 56882602
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 136861496
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45244015
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95706948
2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 26402073
2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
CID 118784151
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 137021866
2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 45184742
(3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 42216653

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide (CID 136782800) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide is CC(C)(C)CN1CCNC(=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-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is FGWFRTDFVLVRCY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-17(2,3)10-23-7-6-20-16(26)11(23)8-14(24)19-5-4-13-21-12(18)9-15(25)22-13/h9,11H,4-8,10H2,1-3H3,(H,19,24)(H,20,26)(H3,18,21,22,25)/t11-/m1/s1.
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of -0.75, 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-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 136782800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).