N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine

C20H27N5 — CID 51907450

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCCN2CCNc1cc([C@H]2CCCNC2)ncn1
InChIInChI=1S/C20H27N5/c1-2-8-19-16(5-1)7-4-11-25(19)12-10-22-20-13-18(23-15-24-20)17-6-3-9-21-14-17/h1-2,5,8,13,15,17,21H,3-4,6-7,9-12,14H2,(H,22,23,24)/t17-/m0/s1
InChIKeyMUKFMZDNSJPIJN-KRWDZBQOSA-N
MW337.47 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 51907450) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID51907450
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCCN2CCNc1cc([C@H]2CCCNC2)ncn1
InChIInChI=1S/C20H27N5/c1-2-8-19-16(5-1)7-4-11-25(19)12-10-22-20-13-18(23-15-24-20)17-6-3-9-21-14-17/h1-2,5,8,13,15,17,21H,3-4,6-7,9-12,14H2,(H,22,23,24)/t17-/m0/s1
InChIKeyMUKFMZDNSJPIJN-KRWDZBQOSA-N
XLogP2.81
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-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

1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 86323488
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 95216424
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56719274
6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one
CID 99601648
6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
CID 45173265
N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95219621
1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride
CID 53408240
4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126446856
N-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]cyclopropanamine
CID 55069946
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126454273
2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]morpholine
CID 66426870
3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
CID 91766271

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine (CID 51907450) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine is c1ccc2c(c1)CCCN2CCNc1cc([C@H]2CCCNC2)ncn1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is MUKFMZDNSJPIJN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5/c1-2-8-19-16(5-1)7-4-11-25(19)12-10-22-20-13-18(23-15-24-20)17-6-3-9-21-14-17/h1-2,5,8,13,15,17,21H,3-4,6-7,9-12,14H2,(H,22,23,24)/t17-/m0/s1.
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 51907450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).