(3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone

C13H16N8O — CID 164576231

IUPAC(3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone
SMILESNc1cc(N2CCN(C(=O)c3nccnc3N)CC2)ncn1
InChIInChI=1S/C13H16N8O/c14-9-7-10(19-8-18-9)20-3-5-21(6-4-20)13(22)11-12(15)17-2-1-16-11/h1-2,7-8H,3-6H2,(H2,15,17)(H2,14,18,19)
InChIKeyLOOQLEOHCDFZBJ-UHFFFAOYSA-N
MW300.33 g/mol
LogP-0.61
Rot. Bonds2

About (3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone

(3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 164576231) has the molecular formula C13H16N8O and a molecular weight of 300.33 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID164576231
Molecular FormulaC13H16N8O
Molecular Weight300.33 g/mol
Exact Mass300.14
IUPAC Name(3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone
SMILESNc1cc(N2CCN(C(=O)c3nccnc3N)CC2)ncn1
InChIInChI=1S/C13H16N8O/c14-9-7-10(19-8-18-9)20-3-5-21(6-4-20)13(22)11-12(15)17-2-1-16-11/h1-2,7-8H,3-6H2,(H2,15,17)(H2,14,18,19)
InChIKeyLOOQLEOHCDFZBJ-UHFFFAOYSA-N
XLogP-0.61
TPSA127.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-tert-butyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 44415532
3-amino-5-(azepan-1-yl)-N-(diaminomethylidene)-6-(pyrimidin-2-ylamino)pyrazine-2-carboxamide
CID 146029521
Pyrazin-2-yl(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234174
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3234891
1,3-dimethyl-9-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 10071897
1,3-Dimethyl-9-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione
CID 10411600
N-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
CID 44410107
thiomorpholino(1-(6-thiomorpholinopyrimidin-4-yl)-1H-imidazol-4-yl)methanone
CID 49667446
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}pyrazine-2-carboxamide
CID 49687691
N-(2-((6-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)ethyl)pyrazine-2-carboxamide
CID 56920499
N-[6-(4-Methylpiperazin-1-YL)pyrimidin-4-YL]pyrazine-2-carboxamide
CID 71794816
N-(6-morpholinopyrimidin-4-yl)pyrazine-2-carboxamide
CID 71794856

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone (CID 164576231) is (3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone is Nc1cc(N2CCN(C(=O)c3nccnc3N)CC2)ncn1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is LOOQLEOHCDFZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8O/c14-9-7-10(19-8-18-9)20-3-5-21(6-4-20)13(22)11-12(15)17-2-1-16-11/h1-2,7-8H,3-6H2,(H2,15,17)(H2,14,18,19).
What are the key properties of (3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 300.33 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[4-(6-aminopyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 164576231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).