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

C15H15N5 — CID 23323058

IUPAC5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccnc2ccc(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C15H15N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)6-11-8-19-15(17)20-14(11)16/h2-5,7-8H,6H2,1H3,(H4,16,17,19,20)
InChIKeyWHLMSTTWJMOYPJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.09
Rot. Bonds2

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

5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323058) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323058
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccnc2ccc(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C15H15N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)6-11-8-19-15(17)20-14(11)16/h2-5,7-8H,6H2,1H3,(H4,16,17,19,20)
InChIKeyWHLMSTTWJMOYPJ-UHFFFAOYSA-N
XLogP2.09
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323058) is 5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is Cc1ccnc2ccc(Cc3cnc(N)nc3N)cc12.
What is the InChIKey of 5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is WHLMSTTWJMOYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)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-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).