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

C17H19N5O — CID 14570325

IUPAC5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(C)c2cc(Cc3cnc(N)nc3N)cc(C)c2n1
InChIInChI=1S/C17H19N5O/c1-9-5-14(23-3)21-15-10(2)4-11(7-13(9)15)6-12-8-20-17(19)22-16(12)18/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,22)
InChIKeyIWDKIXLBKPVDAR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.41
Rot. Bonds3

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

5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 14570325) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID14570325
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(C)c2cc(Cc3cnc(N)nc3N)cc(C)c2n1
InChIInChI=1S/C17H19N5O/c1-9-5-14(23-3)21-15-10(2)4-11(7-13(9)15)6-12-8-20-17(19)22-16(12)18/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,22)
InChIKeyIWDKIXLBKPVDAR-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 14570325) is 5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is COc1cc(C)c2cc(Cc3cnc(N)nc3N)cc(C)c2n1.
What is the InChIKey of 5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is IWDKIXLBKPVDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-9-5-14(23-3)21-15-10(2)4-11(7-13(9)15)6-12-8-20-17(19)22-16(12)18/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,22).
What are the key properties of 5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 309.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4,8-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14570325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).