3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile

C18H11N7 — CID 137431828

IUPAC3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccncn2)nc1N
InChIInChI=1S/C18H11N7/c19-9-15-18(20)25-17(14-5-7-21-10-23-14)16(24-15)12-3-4-13-11(8-12)2-1-6-22-13/h1-8,10H,(H2,20,25)
InChIKeyLNFOOOVZAVIVGU-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.60
Rot. Bonds2

About 3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile

3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile (PubChem CID 137431828) has the molecular formula C18H11N7 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile
PubChem CID137431828
Molecular FormulaC18H11N7
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccncn2)nc1N
InChIInChI=1S/C18H11N7/c19-9-15-18(20)25-17(14-5-7-21-10-23-14)16(24-15)12-3-4-13-11(8-12)2-1-6-22-13/h1-8,10H,(H2,20,25)
InChIKeyLNFOOOVZAVIVGU-UHFFFAOYSA-N
XLogP2.60
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430158
3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430735
3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430263
3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 154604788
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 158202532
6-quinolin-6-ylpyrazin-2-amine
CID 81222208
5-quinolin-6-yl-1,3,4-oxadiazol-2-amine
CID 62850439
2-hydroxy-5-quinolin-6-ylbenzonitrile
CID 83130277
4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile
CID 138554948
4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)pyridine-2-carbonitrile
CID 137372351
1-propan-2-yl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905152

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile (CID 137431828) is 3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile is N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccncn2)nc1N.
What is the InChIKey of 3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile?
The InChIKey is LNFOOOVZAVIVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N7/c19-9-15-18(20)25-17(14-5-7-21-10-23-14)16(24-15)12-3-4-13-11(8-12)2-1-6-22-13/h1-8,10H,(H2,20,25).
What are the key properties of 3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile?
3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile has a molecular weight of 325.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 137431828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).