4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine

C24H27N5O — CID 19141897

IUPAC4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Oc3ncnc(NC45CC6CC(CC(C6)C4)C5)c3N)c2n1
InChIInChI=1S/C24H27N5O/c1-14-5-6-18-3-2-4-19(21(18)28-14)30-23-20(25)22(26-13-27-23)29-24-10-15-7-16(11-24)9-17(8-15)12-24/h2-6,13,15-17H,7-12,25H2,1H3,(H,26,27,29)
InChIKeyYLYJGTNSSDCGIQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.09
Rot. Bonds4

About 4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine

4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine (PubChem CID 19141897) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
PubChem CID19141897
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Oc3ncnc(NC45CC6CC(CC(C6)C4)C5)c3N)c2n1
InChIInChI=1S/C24H27N5O/c1-14-5-6-18-3-2-4-19(21(18)28-14)30-23-20(25)22(26-13-27-23)29-24-10-15-7-16(11-24)9-17(8-15)12-24/h2-6,13,15-17H,7-12,25H2,1H3,(H,26,27,29)
InChIKeyYLYJGTNSSDCGIQ-UHFFFAOYSA-N
XLogP5.09
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1-adamantyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143509
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141939
4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141896
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
N-[4-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]phenyl]acetamide
CID 19141998
4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141993
6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine
CID 19141900
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 22541174
4-(2-methylquinolin-8-yl)oxy-6-morpholin-4-ylpyrimidin-5-amine
CID 19137637
ethyl 3-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]benzoate
CID 19142000
4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19139925

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine (CID 19141897) is 4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine is Cc1ccc2cccc(Oc3ncnc(NC45CC6CC(CC(C6)C4)C5)c3N)c2n1.
What is the InChIKey of 4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The InChIKey is YLYJGTNSSDCGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-14-5-6-18-3-2-4-19(21(18)28-14)30-23-20(25)22(26-13-27-23)29-24-10-15-7-16(11-24)9-17(8-15)12-24/h2-6,13,15-17H,7-12,25H2,1H3,(H,26,27,29).
What are the key properties of 4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine has a molecular weight of 401.51 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine is sourced from PubChem (CID 19141897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).