4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile

C10H14N4O — CID 100771213

IUPAC4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile
SMILESCn1c(C#N)cc(N)c1N1CCOCC1
InChIInChI=1S/C10H14N4O/c1-13-8(7-11)6-9(12)10(13)14-2-4-15-5-3-14/h6H,2-5,12H2,1H3
InChIKeyJXIBSJNRZIGLDT-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.32
Rot. Bonds1

About 4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile

4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile (PubChem CID 100771213) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile
PubChem CID100771213
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile
SMILESCn1c(C#N)cc(N)c1N1CCOCC1
InChIInChI=1S/C10H14N4O/c1-13-8(7-11)6-9(12)10(13)14-2-4-15-5-3-14/h6H,2-5,12H2,1H3
InChIKeyJXIBSJNRZIGLDT-UHFFFAOYSA-N
XLogP0.32
TPSA67.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid
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4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile
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2-chloro-5-morpholin-4-ylpyridin-3-amine
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4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
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5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile (CID 100771213) is 4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile is Cn1c(C#N)cc(N)c1N1CCOCC1.
What is the InChIKey of 4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile?
The InChIKey is JXIBSJNRZIGLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-13-8(7-11)6-9(12)10(13)14-2-4-15-5-3-14/h6H,2-5,12H2,1H3.
What are the key properties of 4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile?
4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile is sourced from PubChem (CID 100771213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).