5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile

C14H22N6O — CID 44565796

IUPAC5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
SMILESCC(C)(C)CNc1nc(C#N)nc(N2CCOCC2)c1N
InChIInChI=1S/C14H22N6O/c1-14(2,3)9-17-12-11(16)13(19-10(8-15)18-12)20-4-6-21-7-5-20/h4-7,9,16H2,1-3H3,(H,17,18,19)
InChIKeyHLZVKJIKNRQXFG-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.23
Rot. Bonds3

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

5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile (PubChem CID 44565796) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
PubChem CID44565796
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
SMILESCC(C)(C)CNc1nc(C#N)nc(N2CCOCC2)c1N
InChIInChI=1S/C14H22N6O/c1-14(2,3)9-17-12-11(16)13(19-10(8-15)18-12)20-4-6-21-7-5-20/h4-7,9,16H2,1-3H3,(H,17,18,19)
InChIKeyHLZVKJIKNRQXFG-UHFFFAOYSA-N
XLogP1.23
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile (CID 44565796) is 5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile is CC(C)(C)CNc1nc(C#N)nc(N2CCOCC2)c1N.
What is the InChIKey of 5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The InChIKey is HLZVKJIKNRQXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-14(2,3)9-17-12-11(16)13(19-10(8-15)18-12)20-4-6-21-7-5-20/h4-7,9,16H2,1-3H3,(H,17,18,19).
What are the key properties of 5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2-dimethylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 44565796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).