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

C15H22N6O — CID 44565779

IUPAC5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nc(NC2CCCCC2)c(N)c(N2CCOCC2)n1
InChIInChI=1S/C15H22N6O/c16-10-12-19-14(18-11-4-2-1-3-5-11)13(17)15(20-12)21-6-8-22-9-7-21/h11H,1-9,17H2,(H,18,19,20)
InChIKeyUSGOWKMSEVEXFM-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.51
Rot. Bonds3

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

5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile (PubChem CID 44565779) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
PubChem CID44565779
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nc(NC2CCCCC2)c(N)c(N2CCOCC2)n1
InChIInChI=1S/C15H22N6O/c16-10-12-19-14(18-11-4-2-1-3-5-11)13(17)15(20-12)21-6-8-22-9-7-21/h11H,1-9,17H2,(H,18,19,20)
InChIKeyUSGOWKMSEVEXFM-UHFFFAOYSA-N
XLogP1.51
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile (CID 44565779) is 5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile is N#Cc1nc(NC2CCCCC2)c(N)c(N2CCOCC2)n1.
What is the InChIKey of 5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The InChIKey is USGOWKMSEVEXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c16-10-12-19-14(18-11-4-2-1-3-5-11)13(17)15(20-12)21-6-8-22-9-7-21/h11H,1-9,17H2,(H,18,19,20).
What are the key properties of 5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile has a molecular weight of 302.38 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(cyclohexylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 44565779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).