5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine

C16H17N5O — CID 15953859

IUPAC5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine
SMILESCC(C)c1cc2ncccc2cc1Oc1cnc(N)nc1N
InChIInChI=1S/C16H17N5O/c1-9(2)11-7-12-10(4-3-5-19-12)6-13(11)22-14-8-20-16(18)21-15(14)17/h3-9H,1-2H3,(H4,17,18,20,21)
InChIKeyQZOBTPAJFDZKGE-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.10
Rot. Bonds3

About 5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine

5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine (PubChem CID 15953859) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine
PubChem CID15953859
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine
SMILESCC(C)c1cc2ncccc2cc1Oc1cnc(N)nc1N
InChIInChI=1S/C16H17N5O/c1-9(2)11-7-12-10(4-3-5-19-12)6-13(11)22-14-8-20-16(18)21-15(14)17/h3-9H,1-2H3,(H4,17,18,20,21)
InChIKeyQZOBTPAJFDZKGE-UHFFFAOYSA-N
XLogP3.10
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine?
The IUPAC name of 5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine (CID 15953859) is 5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine?
The canonical SMILES for 5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine is CC(C)c1cc2ncccc2cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine?
The InChIKey is QZOBTPAJFDZKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9(2)11-7-12-10(4-3-5-19-12)6-13(11)22-14-8-20-16(18)21-15(14)17/h3-9H,1-2H3,(H4,17,18,20,21).
What are the key properties of 5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine?
5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine has a molecular weight of 295.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-propan-2-ylquinolin-6-yl)oxypyrimidine-2,4-diamine is sourced from PubChem (CID 15953859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).