N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine

C23H25N5 — CID 123814541

IUPACN-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine
SMILESCCC1C=Cc2cc(Nc3ccnc(-c4cccc(C(C)N)c4)n3)ccc2N1
InChIInChI=1S/C23H25N5/c1-3-19-8-7-17-14-20(9-10-21(17)26-19)27-22-11-12-25-23(28-22)18-6-4-5-16(13-18)15(2)24/h4-15,19,26H,3,24H2,1-2H3,(H,25,27,28)
InChIKeyJYVMFIAPKJDVGZ-UHFFFAOYSA-N
MW371.49 g/mol
LogP5.12
Rot. Bonds5

About N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine

N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine (PubChem CID 123814541) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine.

Molecular Properties

Compound NameN-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine
PubChem CID123814541
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC NameN-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine
SMILESCCC1C=Cc2cc(Nc3ccnc(-c4cccc(C(C)N)c4)n3)ccc2N1
InChIInChI=1S/C23H25N5/c1-3-19-8-7-17-14-20(9-10-21(17)26-19)27-22-11-12-25-23(28-22)18-6-4-5-16(13-18)15(2)24/h4-15,19,26H,3,24H2,1-2H3,(H,25,27,28)
InChIKeyJYVMFIAPKJDVGZ-UHFFFAOYSA-N
XLogP5.12
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.49
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

Dapivirine
CID 214347
Rilpivirine
CID 6451164
Rilpivirine Hydrochloride
CID 11711114
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788
8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide
CID 448610
N-(3,5-dimethylphenyl)-4-(2-phenyl-1H-imidazol-1-yl)pyrimidin-2-amine
CID 5329417
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-Cyclohexylquinazolin-4-amine
CID 13231190
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine?
The IUPAC name of N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine (CID 123814541) is N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine.
What is the SMILES notation for N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine?
The canonical SMILES for N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine is CCC1C=Cc2cc(Nc3ccnc(-c4cccc(C(C)N)c4)n3)ccc2N1.
What is the InChIKey of N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine?
The InChIKey is JYVMFIAPKJDVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-3-19-8-7-17-14-20(9-10-21(17)26-19)27-22-11-12-25-23(28-22)18-6-4-5-16(13-18)15(2)24/h4-15,19,26H,3,24H2,1-2H3,(H,25,27,28).
What are the key properties of N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine?
N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine has a molecular weight of 371.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine is sourced from PubChem (CID 123814541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).