5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine

C15H19N5 — CID 23323039

IUPAC5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1CCCc2cc(Cc3cnc(N)nc3N)ccc21
InChIInChI=1S/C15H19N5/c1-20-6-2-3-11-7-10(4-5-13(11)20)8-12-9-18-15(17)19-14(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H4,16,17,18,19)
InChIKeyVZDZIQCTRIYVLF-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.61
Rot. Bonds2

About 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine

5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323039) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323039
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1CCCc2cc(Cc3cnc(N)nc3N)ccc21
InChIInChI=1S/C15H19N5/c1-20-6-2-3-11-7-10(4-5-13(11)20)8-12-9-18-15(17)19-14(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H4,16,17,18,19)
InChIKeyVZDZIQCTRIYVLF-UHFFFAOYSA-N
XLogP1.61
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323039) is 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine is CN1CCCc2cc(Cc3cnc(N)nc3N)ccc21.
What is the InChIKey of 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is VZDZIQCTRIYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-20-6-2-3-11-7-10(4-5-13(11)20)8-12-9-18-15(17)19-14(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H4,16,17,18,19).
What are the key properties of 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).