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

C17H19N5O2 — CID 14570338

IUPAC5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(C)nc2c(OC)cc(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C17H19N5O2/c1-9-4-13(23-2)12-6-10(7-14(24-3)15(12)21-9)5-11-8-20-17(19)22-16(11)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22)
InChIKeyLLBXUDUWEWTJRQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.11
Rot. Bonds4

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

5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 14570338) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID14570338
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(C)nc2c(OC)cc(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C17H19N5O2/c1-9-4-13(23-2)12-6-10(7-14(24-3)15(12)21-9)5-11-8-20-17(19)22-16(11)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22)
InChIKeyLLBXUDUWEWTJRQ-UHFFFAOYSA-N
XLogP2.11
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 14570338) is 5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is COc1cc(C)nc2c(OC)cc(Cc3cnc(N)nc3N)cc12.
What is the InChIKey of 5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is LLBXUDUWEWTJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-9-4-13(23-2)12-6-10(7-14(24-3)15(12)21-9)5-11-8-20-17(19)22-16(11)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22).
What are the key properties of 5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 325.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,8-dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14570338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).