5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine

C17H19N5O — CID 58827001

IUPAC5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine
SMILESCc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)nc12
InChIInChI=1S/C17H19N5O/c1-9(2)14-12(23-13-8-20-17(19)22-16(13)18)7-11-6-4-5-10(3)15(11)21-14/h4-9H,1-3H3,(H4,18,19,20,22)
InChIKeyYSHQGOYVFOYVOZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.41
Rot. Bonds3

About 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine

5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine (PubChem CID 58827001) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine
PubChem CID58827001
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine
SMILESCc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)nc12
InChIInChI=1S/C17H19N5O/c1-9(2)14-12(23-13-8-20-17(19)22-16(13)18)7-11-6-4-5-10(3)15(11)21-14/h4-9H,1-3H3,(H4,18,19,20,22)
InChIKeyYSHQGOYVFOYVOZ-UHFFFAOYSA-N
XLogP3.41
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine?
The IUPAC name of 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine (CID 58827001) is 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine?
The canonical SMILES for 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine is Cc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)nc12.
What is the InChIKey of 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine?
The InChIKey is YSHQGOYVFOYVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-9(2)14-12(23-13-8-20-17(19)22-16(13)18)7-11-6-4-5-10(3)15(11)21-14/h4-9H,1-3H3,(H4,18,19,20,22).
What are the key properties of 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine?
5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine has a molecular weight of 309.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine is sourced from PubChem (CID 58827001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).