5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile

C12H13N7O — CID 102809182

IUPAC5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nn(-c2ccncn2)c1N
InChIInChI=1S/C12H13N7O/c13-7-9-11(14)19(10-1-2-15-8-16-10)17-12(9)18-3-5-20-6-4-18/h1-2,8H,3-6,14H2
InChIKeyZPOSBSUDJIXOLK-UHFFFAOYSA-N
MW271.28 g/mol
LogP-0.05
Rot. Bonds2

About 5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile

5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile (PubChem CID 102809182) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile
PubChem CID102809182
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nn(-c2ccncn2)c1N
InChIInChI=1S/C12H13N7O/c13-7-9-11(14)19(10-1-2-15-8-16-10)17-12(9)18-3-5-20-6-4-18/h1-2,8H,3-6,14H2
InChIKeyZPOSBSUDJIXOLK-UHFFFAOYSA-N
XLogP-0.05
TPSA105.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 102809221
5-amino-1-(5-bromo-2-pyridinyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
CID 102796725
5-amino-1-cyclohexyl-3-morpholin-4-ylpyrazole-4-carbonitrile
CID 102808763
5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
2-amino-6-morpholin-4-yl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 14832727
5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796870
5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
CID 102795510
5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 102796819
4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine
CID 79816701
5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile
CID 102795272
5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795490

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile (CID 102809182) is 5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile is N#Cc1c(N2CCOCC2)nn(-c2ccncn2)c1N.
What is the InChIKey of 5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile?
The InChIKey is ZPOSBSUDJIXOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c13-7-9-11(14)19(10-1-2-15-8-16-10)17-12(9)18-3-5-20-6-4-18/h1-2,8H,3-6,14H2.
What are the key properties of 5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile?
5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile has a molecular weight of 271.28 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 102809182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).