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

C17H27N5O4 — CID 95713262

IUPACN-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C17H27N5O4/c1-11(2)4-7-22-8-6-19-17(26)12(22)9-14(23)18-5-3-13-20-15(24)10-16(25)21-13/h10-12H,3-9H2,1-2H3,(H,18,23)(H,19,26)(H2,20,21,24,25)/t12-/m1/s1
InChIKeyCGYZEOISSFJBKX-GFCCVEGCSA-N
MW365.43 g/mol
LogP-0.63
Rot. Bonds8

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

N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 95713262) has the molecular formula C17H27N5O4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID95713262
Molecular FormulaC17H27N5O4
Molecular Weight365.43 g/mol
Exact Mass365.21
IUPAC NameN-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C17H27N5O4/c1-11(2)4-7-22-8-6-19-17(26)12(22)9-14(23)18-5-3-13-20-15(24)10-16(25)21-13/h10-12H,3-9H2,1-2H3,(H,18,23)(H,19,26)(H2,20,21,24,25)/t12-/m1/s1
InChIKeyCGYZEOISSFJBKX-GFCCVEGCSA-N
XLogP-0.63
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 56890314
N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72920934
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-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-[(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-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide (CID 95713262) is N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide is CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is CGYZEOISSFJBKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27N5O4/c1-11(2)4-7-22-8-6-19-17(26)12(22)9-14(23)18-5-3-13-20-15(24)10-16(25)21-13/h10-12H,3-9H2,1-2H3,(H,18,23)(H,19,26)(H2,20,21,24,25)/t12-/m1/s1.
What are the key properties of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of -0.63, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95713262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).