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

C17H23N5 — CID 23323044

IUPAC5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCCN1CCC(C)c2cc(Cc3cnc(N)nc3N)ccc21
InChIInChI=1S/C17H23N5/c1-3-22-7-6-11(2)14-9-12(4-5-15(14)22)8-13-10-20-17(19)21-16(13)18/h4-5,9-11H,3,6-8H2,1-2H3,(H4,18,19,20,21)
InChIKeyBVTLYXPJXLFKHC-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.57
Rot. Bonds3

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

5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323044) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323044
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCCN1CCC(C)c2cc(Cc3cnc(N)nc3N)ccc21
InChIInChI=1S/C17H23N5/c1-3-22-7-6-11(2)14-9-12(4-5-15(14)22)8-13-10-20-17(19)21-16(13)18/h4-5,9-11H,3,6-8H2,1-2H3,(H4,18,19,20,21)
InChIKeyBVTLYXPJXLFKHC-UHFFFAOYSA-N
XLogP2.57
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323044) is 5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine is CCN1CCC(C)c2cc(Cc3cnc(N)nc3N)ccc21.
What is the InChIKey of 5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is BVTLYXPJXLFKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-22-7-6-11(2)14-9-12(4-5-15(14)22)8-13-10-20-17(19)21-16(13)18/h4-5,9-11H,3,6-8H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 297.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-4-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).