N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C18H26N6O — CID 112869691

IUPACN-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOCCCNc1cc(N2CCN(c3ccccn3)CC2)nc(C)n1
InChIInChI=1S/C18H26N6O/c1-15-21-16(19-8-5-13-25-2)14-18(22-15)24-11-9-23(10-12-24)17-6-3-4-7-20-17/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,19,21,22)
InChIKeyHPJIPSIWCAMEDC-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.96
Rot. Bonds7

About N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112869691) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112869691
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOCCCNc1cc(N2CCN(c3ccccn3)CC2)nc(C)n1
InChIInChI=1S/C18H26N6O/c1-15-21-16(19-8-5-13-25-2)14-18(22-15)24-11-9-23(10-12-24)17-6-3-4-7-20-17/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,19,21,22)
InChIKeyHPJIPSIWCAMEDC-UHFFFAOYSA-N
XLogP1.96
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-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

N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
N-(2-methoxyethyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364861
2-methyl-N-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875519
6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 112869524
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276259
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868473
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112856870
4-[6-(3-methoxypropylamino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112880380
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112869691) is N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is COCCCNc1cc(N2CCN(c3ccccn3)CC2)nc(C)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is HPJIPSIWCAMEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-15-21-16(19-8-5-13-25-2)14-18(22-15)24-11-9-23(10-12-24)17-6-3-4-7-20-17/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,19,21,22).
What are the key properties of N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 342.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112869691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).