4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine

C18H20N4O — CID 163313189

IUPAC4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine
SMILESCc1nc(NCCOc2cccc3cccnc23)nc(C)c1C
InChIInChI=1S/C18H20N4O/c1-12-13(2)21-18(22-14(12)3)20-10-11-23-16-8-4-6-15-7-5-9-19-17(15)16/h4-9H,10-11H2,1-3H3,(H,20,21,22)
InChIKeyWTDWTAYBHLOIIV-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.44
Rot. Bonds5

About 4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine

4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine (PubChem CID 163313189) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine
PubChem CID163313189
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine
SMILESCc1nc(NCCOc2cccc3cccnc23)nc(C)c1C
InChIInChI=1S/C18H20N4O/c1-12-13(2)21-18(22-14(12)3)20-10-11-23-16-8-4-6-15-7-5-9-19-17(15)16/h4-9H,10-11H2,1-3H3,(H,20,21,22)
InChIKeyWTDWTAYBHLOIIV-UHFFFAOYSA-N
XLogP3.44
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-quinolin-8-yloxyethylhydrazine
CID 82126133
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
3-ethoxy-N-(2-quinolin-8-yloxyethyl)propan-1-amine
CID 62598028
2-quinolin-8-yloxyethanamine
CID 17174906
N-(2-quinolin-8-yloxyethyl)cyclopentanamine
CID 62599062
8-[2-(5-methyl-1H-pyrazol-3-yl)ethoxy]quinoline
CID 82088189
N-propyl-5-quinolin-8-yloxypentan-1-amine
CID 62484408
1-cyclopropyl-N-(2-quinolin-8-yloxyethyl)ethanamine
CID 62598191
8-[3-(2,4-dimethylphenoxy)propoxy]quinoline
CID 3611795
3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102271
1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine
CID 111123466
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
The IUPAC name of 4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine (CID 163313189) is 4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine is Cc1nc(NCCOc2cccc3cccnc23)nc(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
The InChIKey is WTDWTAYBHLOIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-13(2)21-18(22-14(12)3)20-10-11-23-16-8-4-6-15-7-5-9-19-17(15)16/h4-9H,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of 4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine has a molecular weight of 308.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 163313189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).