4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine

C26H30N8O2 — CID 59698640

IUPAC4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine
SMILESCOc1cncc(-c2ncc(-c3ccnc(Nc4cccc(OCCCN5CCNCC5)c4)n3)[nH]2)c1
InChIInChI=1S/C26H30N8O2/c1-35-22-14-19(16-28-17-22)25-30-18-24(32-25)23-6-7-29-26(33-23)31-20-4-2-5-21(15-20)36-13-3-10-34-11-8-27-9-12-34/h2,4-7,14-18,27H,3,8-13H2,1H3,(H,30,32)(H,29,31,33)
InChIKeyQXBKSFLRHMVIDY-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.36
Rot. Bonds10

About 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine

4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine (PubChem CID 59698640) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine
PubChem CID59698640
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Name4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine
SMILESCOc1cncc(-c2ncc(-c3ccnc(Nc4cccc(OCCCN5CCNCC5)c4)n3)[nH]2)c1
InChIInChI=1S/C26H30N8O2/c1-35-22-14-19(16-28-17-22)25-30-18-24(32-25)23-6-7-29-26(33-23)31-20-4-2-5-21(15-20)36-13-3-10-34-11-8-27-9-12-34/h2,4-7,14-18,27H,3,8-13H2,1H3,(H,30,32)(H,29,31,33)
InChIKeyQXBKSFLRHMVIDY-UHFFFAOYSA-N
XLogP3.36
TPSA113.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-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-[3-(3-imidazol-1-ylpropoxy)phenyl]-4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 59698672
4-[2-(3-phenylphenyl)-1H-imidazol-5-yl]-N-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrimidin-2-amine
CID 71104604
[(2S)-1-[3-[3-[[4-[2-(3-methoxyphenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenoxy]propyl]pyrrolidin-2-yl]methanol
CID 59698685
2-[4-[3-[3-[[4-[2-(3-phenylphenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenoxy]propyl]piperazin-1-yl]ethanol
CID 71104515
1-[3-[3-[[4-[2-(3-phenylphenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenoxy]propyl]piperidin-4-ol
CID 71104511
[(2S)-1-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]pyrrolidin-2-yl]methanol
CID 59698683
2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol
CID 10343482
2-methylsulfanyl-4-(3-phenylphenyl)-5-[2-[3-(3-piperazin-1-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-3-carbonitrile
CID 23544443
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 145496884
N-[3-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 20741362
4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 14722198
5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-2-methylsulfanylthiophene-3-carbonitrile
CID 10282225

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine (CID 59698640) is 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine is COc1cncc(-c2ncc(-c3ccnc(Nc4cccc(OCCCN5CCNCC5)c4)n3)[nH]2)c1.
What is the InChIKey of 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine?
The InChIKey is QXBKSFLRHMVIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-35-22-14-19(16-28-17-22)25-30-18-24(32-25)23-6-7-29-26(33-23)31-20-4-2-5-21(15-20)36-13-3-10-34-11-8-27-9-12-34/h2,4-7,14-18,27H,3,8-13H2,1H3,(H,30,32)(H,29,31,33).
What are the key properties of 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine?
4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine has a molecular weight of 486.58 g/mol, XLogP of 3.36, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methoxy-3-pyridinyl)-1H-imidazol-5-yl]-N-[3-(3-piperazin-1-ylpropoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 59698640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).