4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile

C11H16N6O — CID 10586632

IUPAC4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESCN(C)c1nc(N)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C11H16N6O/c1-16(2)11-14-9(13)8(7-12)10(15-11)17-3-5-18-6-4-17/h3-6H2,1-2H3,(H2,13,14,15)
InChIKeyDJCSBPFQIHWJLJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.17
Rot. Bonds2

About 4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile

4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile (PubChem CID 10586632) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile
PubChem CID10586632
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESCN(C)c1nc(N)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C11H16N6O/c1-16(2)11-14-9(13)8(7-12)10(15-11)17-3-5-18-6-4-17/h3-6H2,1-2H3,(H2,13,14,15)
InChIKeyDJCSBPFQIHWJLJ-UHFFFAOYSA-N
XLogP-0.17
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile (CID 10586632) is 4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile is CN(C)c1nc(N)c(C#N)c(N2CCOCC2)n1.
What is the InChIKey of 4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The InChIKey is DJCSBPFQIHWJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-16(2)11-14-9(13)8(7-12)10(15-11)17-3-5-18-6-4-17/h3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile?
4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-6-morpholin-4-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 10586632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).