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

C13H20N6O — CID 25256832

IUPAC5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
SMILESCC(C)CNc1nc(C#N)nc(N2CCOCC2)c1N
InChIInChI=1S/C13H20N6O/c1-9(2)8-16-12-11(15)13(18-10(7-14)17-12)19-3-5-20-6-4-19/h9H,3-6,8,15H2,1-2H3,(H,16,17,18)
InChIKeyLADNPCFYVROVIW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.83
Rot. Bonds4

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

5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile (PubChem CID 25256832) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
PubChem CID25256832
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
SMILESCC(C)CNc1nc(C#N)nc(N2CCOCC2)c1N
InChIInChI=1S/C13H20N6O/c1-9(2)8-16-12-11(15)13(18-10(7-14)17-12)19-3-5-20-6-4-19/h9H,3-6,8,15H2,1-2H3,(H,16,17,18)
InChIKeyLADNPCFYVROVIW-UHFFFAOYSA-N
XLogP0.83
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-Amino-4-(isobutylamino)-6-(piperazin-1-yl)pyrimidine-2-carbonitrile
CID 25256833
5-Amino-4-(isopropylamino)-6-morpholinopyrimidine-2-carbonitrile
CID 44565777
5-Amino-4-(cyclopentylamino)-6-morpholinopyrimidine-2-carbonitrile
CID 44565778
5-Amino-4-(cyclohexylamino)-6-morpholinopyrimidine-2-carbonitrile
CID 44565779
5-Amino-4-morpholino-6-(neopentylamino)pyrimidine-2-carbonitrile
CID 44565796
5-Amino-4-(sec-butylamino)-6-morpholinopyrimidine-2-carbonitrile
CID 44565797
5-Amino-4-morpholino-6-(tetrahydrofuran-3-ylamino)pyrimidine-2-carbonitrile
CID 44565799
5-Amino-4-morpholino-6-(pyrrolidin-1-yl)pyrimidine-2-carbonitrile
CID 44565800
5-Amino-4-morpholino-6-(piperidin-1-yl)pyrimidine-2-carbonitrile
CID 44565818
5-Amino-4-(isobutylamino)-6-(2-methoxyethylamino)pyrimidine-2-carbonitrile
CID 44565819
4-(4-Acetylpiperazin-1-yl)-5-amino-6-(isobutylamino)pyrimidine-2-carbonitrile
CID 44565820
5-Amino-4-(3-hydroxyazetidin-1-yl)-6-(isobutylamino)pyrimidine-2-carbonitrile
CID 44565822

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile (CID 25256832) is 5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile is CC(C)CNc1nc(C#N)nc(N2CCOCC2)c1N.
What is the InChIKey of 5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The InChIKey is LADNPCFYVROVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9(2)8-16-12-11(15)13(18-10(7-14)17-12)19-3-5-20-6-4-19/h9H,3-6,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methylpropylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 25256832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).