4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine

C22H21N5O — CID 22547806

IUPAC4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESCC(C)c1ccc(Nc2ncnc(Oc3cccc4cccnc34)c2N)cc1
InChIInChI=1S/C22H21N5O/c1-14(2)15-8-10-17(11-9-15)27-21-19(23)22(26-13-25-21)28-18-7-3-5-16-6-4-12-24-20(16)18/h3-14H,23H2,1-2H3,(H,25,26,27)
InChIKeyIJRNSXQBRIOJAV-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.27
Rot. Bonds5

About 4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine

4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine (PubChem CID 22547806) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
PubChem CID22547806
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESCC(C)c1ccc(Nc2ncnc(Oc3cccc4cccnc34)c2N)cc1
InChIInChI=1S/C22H21N5O/c1-14(2)15-8-10-17(11-9-15)27-21-19(23)22(26-13-25-21)28-18-7-3-5-16-6-4-12-24-20(16)18/h3-14H,23H2,1-2H3,(H,25,26,27)
InChIKeyIJRNSXQBRIOJAV-UHFFFAOYSA-N
XLogP5.27
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141766
4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141836
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
4-propan-2-yloxy-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141825
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141939
4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141861
4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135970
4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135779
6-(5-bromoquinolin-8-yl)oxy-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19148613
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19141820
4-N-(2-chloro-3-pyridinyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134754
N-[4-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]phenyl]acetamide
CID 19141998

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine (CID 22547806) is 4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine is CC(C)c1ccc(Nc2ncnc(Oc3cccc4cccnc34)c2N)cc1.
What is the InChIKey of 4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The InChIKey is IJRNSXQBRIOJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14(2)15-8-10-17(11-9-15)27-21-19(23)22(26-13-25-21)28-18-7-3-5-16-6-4-12-24-20(16)18/h3-14H,23H2,1-2H3,(H,25,26,27).
What are the key properties of 4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine has a molecular weight of 371.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22547806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).