5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile

C13H20N6O — CID 44565797

IUPAC5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
SMILESCCC(C)Nc1nc(C#N)nc(N2CCOCC2)c1N
InChIInChI=1S/C13H20N6O/c1-3-9(2)16-12-11(15)13(18-10(8-14)17-12)19-4-6-20-7-5-19/h9H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyIPZAMERRHISZLL-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.98
Rot. Bonds4

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

5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile (PubChem CID 44565797) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
PubChem CID44565797
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
SMILESCCC(C)Nc1nc(C#N)nc(N2CCOCC2)c1N
InChIInChI=1S/C13H20N6O/c1-3-9(2)16-12-11(15)13(18-10(8-14)17-12)19-4-6-20-7-5-19/h9H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyIPZAMERRHISZLL-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile (CID 44565797) is 5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile is CCC(C)Nc1nc(C#N)nc(N2CCOCC2)c1N.
What is the InChIKey of 5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The InChIKey is IPZAMERRHISZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-9(2)16-12-11(15)13(18-10(8-14)17-12)19-4-6-20-7-5-19/h9H,3-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(butan-2-ylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 44565797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).