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

C19H30N6O3 — CID 136706480

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)C[C@H]2C(=O)NCCN2CC2CCCCC2)n1
InChIInChI=1S/C19H30N6O3/c20-15-11-18(27)24-16(23-15)6-7-21-17(26)10-14-19(28)22-8-9-25(14)12-13-4-2-1-3-5-13/h11,13-14H,1-10,12H2,(H,21,26)(H,22,28)(H3,20,23,24,27)/t14-/m0/s1
InChIKeyNDNBLXSXCSQNNO-AWEZNQCLSA-N
MW390.49 g/mol
LogP-0.22
Rot. Bonds7

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

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 136706480) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID136706480
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)C[C@H]2C(=O)NCCN2CC2CCCCC2)n1
InChIInChI=1S/C19H30N6O3/c20-15-11-18(27)24-16(23-15)6-7-21-17(26)10-14-19(28)22-8-9-25(14)12-13-4-2-1-3-5-13/h11,13-14H,1-10,12H2,(H,21,26)(H,22,28)(H3,20,23,24,27)/t14-/m0/s1
InChIKeyNDNBLXSXCSQNNO-AWEZNQCLSA-N
XLogP-0.22
TPSA133.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 5-0.22
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-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-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexanecarboxamide
CID 135990316
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-cyclopentyl-3-oxo-2-piperazinyl)acetamide
CID 135990809
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136100501
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
1-(cyclohexylmethyl)-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 136232337
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 136706479
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 136733902
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 136733903

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide (CID 136706480) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-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-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide is Nc1cc(=O)[nH]c(CCNC(=O)C[C@H]2C(=O)NCCN2CC2CCCCC2)n1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is NDNBLXSXCSQNNO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H30N6O3/c20-15-11-18(27)24-16(23-15)6-7-21-17(26)10-14-19(28)22-8-9-25(14)12-13-4-2-1-3-5-13/h11,13-14H,1-10,12H2,(H,21,26)(H,22,28)(H3,20,23,24,27)/t14-/m0/s1.
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 390.49 g/mol, XLogP of -0.22, 7 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-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 136706480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).