5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine

C15H15N5O — CID 23323057

IUPAC5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2cccnc12
InChIInChI=1S/C15H15N5O/c1-21-12-7-9(5-10-3-2-4-18-13(10)12)6-11-8-19-15(17)20-14(11)16/h2-5,7-8H,6H2,1H3,(H4,16,17,19,20)
InChIKeySWFUEQPLVRLTCU-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.79
Rot. Bonds3

About 5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine

5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323057) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323057
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2cccnc12
InChIInChI=1S/C15H15N5O/c1-21-12-7-9(5-10-3-2-4-18-13(10)12)6-11-8-19-15(17)20-14(11)16/h2-5,7-8H,6H2,1H3,(H4,16,17,19,20)
InChIKeySWFUEQPLVRLTCU-UHFFFAOYSA-N
XLogP1.79
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323057) is 5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc2cccnc12.
What is the InChIKey of 5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SWFUEQPLVRLTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-21-12-7-9(5-10-3-2-4-18-13(10)12)6-11-8-19-15(17)20-14(11)16/h2-5,7-8H,6H2,1H3,(H4,16,17,19,20).
What are the key properties of 5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 281.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).