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

C17H19N5O — CID 23323062

IUPAC5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c(C)cc(C)nc12
InChIInChI=1S/C17H19N5O/c1-9-4-10(2)21-15-13(9)6-11(7-14(15)23-3)5-12-8-20-17(19)22-16(12)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22)
InChIKeySCMXVUVXPVNIHS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.41
Rot. Bonds3

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

5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323062) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323062
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c(C)cc(C)nc12
InChIInChI=1S/C17H19N5O/c1-9-4-10(2)21-15-13(9)6-11(7-14(15)23-3)5-12-8-20-17(19)22-16(12)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22)
InChIKeySCMXVUVXPVNIHS-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-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323062) is 5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc2c(C)cc(C)nc12.
What is the InChIKey of 5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SCMXVUVXPVNIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-9-4-10(2)21-15-13(9)6-11(7-14(15)23-3)5-12-8-20-17(19)22-16(12)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22).
What are the key properties of 5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(8-methoxy-2,4-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-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).