6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine

C14H14N6O — CID 145039451

IUPAC6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine
SMILESNc1nc(N)c(N)c(OCc2cccc3cccnc23)n1
InChIInChI=1S/C14H14N6O/c15-10-12(16)19-14(17)20-13(10)21-7-9-4-1-3-8-5-2-6-18-11(8)9/h1-6H,7,15H2,(H4,16,17,19,20)
InChIKeyYGLHSHONBGZDGG-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.35
Rot. Bonds3

About 6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine

6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine (PubChem CID 145039451) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine
PubChem CID145039451
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine
SMILESNc1nc(N)c(N)c(OCc2cccc3cccnc23)n1
InChIInChI=1S/C14H14N6O/c15-10-12(16)19-14(17)20-13(10)21-7-9-4-1-3-8-5-2-6-18-11(8)9/h1-6H,7,15H2,(H4,16,17,19,20)
InChIKeyYGLHSHONBGZDGG-UHFFFAOYSA-N
XLogP1.35
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(quinolin-8-ylmethoxy)ethanamine
CID 62343014
8-[(4-bromophenoxy)methyl]quinoline
CID 28775084
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
3-bromo-5-(quinolin-8-ylmethoxy)aniline
CID 103588108
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
quinolin-8-ylmethyl 2-amino-3-methylbenzoate
CID 24670923
1-(quinolin-8-ylmethoxymethyl)cyclopentan-1-amine
CID 64574612
[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 114318357
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
[5-fluoro-2-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 107695009

Frequently Asked Questions

What is the IUPAC name of 6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine?
The IUPAC name of 6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine (CID 145039451) is 6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine?
The canonical SMILES for 6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine is Nc1nc(N)c(N)c(OCc2cccc3cccnc23)n1.
What is the InChIKey of 6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine?
The InChIKey is YGLHSHONBGZDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-10-12(16)19-14(17)20-13(10)21-7-9-4-1-3-8-5-2-6-18-11(8)9/h1-6H,7,15H2,(H4,16,17,19,20).
What are the key properties of 6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine?
6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine has a molecular weight of 282.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 145039451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).