3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine

C22H28N6 — CID 97321769

IUPAC3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C22H28N6/c1-18(20-9-8-19-6-2-3-7-21(19)26-20)23-12-5-13-27-14-16-28(17-15-27)22-24-10-4-11-25-22/h2-4,6-11,18,23H,5,12-17H2,1H3/t18-/m1/s1
InChIKeyJHHKOJYBRSXKRO-GOSISDBHSA-N
MW376.51 g/mol
LogP2.89
Rot. Bonds7

About 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine

3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine (PubChem CID 97321769) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine
PubChem CID97321769
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C22H28N6/c1-18(20-9-8-19-6-2-3-7-21(19)26-20)23-12-5-13-27-14-16-28(17-15-27)22-24-10-4-11-25-22/h2-4,6-11,18,23H,5,12-17H2,1H3/t18-/m1/s1
InChIKeyJHHKOJYBRSXKRO-GOSISDBHSA-N
XLogP2.89
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-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

N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine
CID 36784384
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
4-(2-hydroxyphenyl)-N'-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111186234
N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide
CID 14622622
2-methyl-1-(5-methylhexyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111580346
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine?
The IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine (CID 97321769) is 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine.
What is the SMILES notation for 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine?
The canonical SMILES for 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine is C[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2n1.
What is the InChIKey of 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine?
The InChIKey is JHHKOJYBRSXKRO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N6/c1-18(20-9-8-19-6-2-3-7-21(19)26-20)23-12-5-13-27-14-16-28(17-15-27)22-24-10-4-11-25-22/h2-4,6-11,18,23H,5,12-17H2,1H3/t18-/m1/s1.
What are the key properties of 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine?
3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine has a molecular weight of 376.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 97321769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).