[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate

C16H19N7O3 — CID 30257912

IUPAC[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESC[C@H](OC(=O)c1nccnc1N)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N7O3/c1-11(26-15(25)12-13(17)19-6-5-18-12)14(24)22-7-9-23(10-8-22)16-20-3-2-4-21-16/h2-6,11H,7-10H2,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyJDTQCABOJUWQCF-NSHDSACASA-N
MW357.37 g/mol
LogP-0.26
Rot. Bonds4

About [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate

[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate (PubChem CID 30257912) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate
PubChem CID30257912
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESC[C@H](OC(=O)c1nccnc1N)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N7O3/c1-11(26-15(25)12-13(17)19-6-5-18-12)14(24)22-7-9-23(10-8-22)16-20-3-2-4-21-16/h2-6,11H,7-10H2,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyJDTQCABOJUWQCF-NSHDSACASA-N
XLogP-0.26
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 30257378
[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] thiophene-2-carboxylate
CID 30580321
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 4-methylsulfinylbenzoate
CID 55525226
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 4-(2,2,2-trifluoroethoxymethyl)benzoate
CID 55541420
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-(2,2-dimethylpropanoylamino)benzoate
CID 55539633
(2S)-2-(4-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42562844
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 119827962
2-(4-phenylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 17249391
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 55540459
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 60854019

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate (CID 30257912) is [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate is C[C@H](OC(=O)c1nccnc1N)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate?
The InChIKey is JDTQCABOJUWQCF-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N7O3/c1-11(26-15(25)12-13(17)19-6-5-18-12)14(24)22-7-9-23(10-8-22)16-20-3-2-4-21-16/h2-6,11H,7-10H2,1H3,(H2,17,19)/t11-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate?
[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate has a molecular weight of 357.37 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 30257912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).