2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine

C26H27N7 — CID 167701142

IUPAC2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine
SMILESCc1cccc(-c2nccc(Cc3ccnc(Cc4ccc(N5CCNCC5)cc4)n3)n2)n1
InChIInChI=1S/C26H27N7/c1-19-3-2-4-24(30-19)26-29-12-10-22(32-26)18-21-9-11-28-25(31-21)17-20-5-7-23(8-6-20)33-15-13-27-14-16-33/h2-12,27H,13-18H2,1H3
InChIKeyYKEIAQYJTSLBPB-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.23
Rot. Bonds6

About 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine

2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine (PubChem CID 167701142) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine
PubChem CID167701142
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC Name2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine
SMILESCc1cccc(-c2nccc(Cc3ccnc(Cc4ccc(N5CCNCC5)cc4)n3)n2)n1
InChIInChI=1S/C26H27N7/c1-19-3-2-4-24(30-19)26-29-12-10-22(32-26)18-21-9-11-28-25(31-21)17-20-5-7-23(8-6-20)33-15-13-27-14-16-33/h2-12,27H,13-18H2,1H3
InChIKeyYKEIAQYJTSLBPB-UHFFFAOYSA-N
XLogP3.23
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167569287
N-methyl-1-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylpiperidin-4-amine
CID 167612736
2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine
CID 167706512
N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide
CID 167599037
3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine
CID 167697841
2-[[4-(aminomethyl)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167629644
2-[[4-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167589955
N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]piperidine-4-carboxamide
CID 167648390
(3S)-1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]pyrrolidin-3-ol
CID 167562070
[1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol
CID 167559480
2-[[4-[(3-amino-3-methylazetidin-1-yl)methyl]phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167532353
N-ethyl-2-[2-(6-methyl-2-pyridinyl)-6-[[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]pyrimidin-4-yl]acetamide
CID 166035903

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine (CID 167701142) is 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine is Cc1cccc(-c2nccc(Cc3ccnc(Cc4ccc(N5CCNCC5)cc4)n3)n2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine?
The InChIKey is YKEIAQYJTSLBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7/c1-19-3-2-4-24(30-19)26-29-12-10-22(32-26)18-21-9-11-28-25(31-21)17-20-5-7-23(8-6-20)33-15-13-27-14-16-33/h2-12,27H,13-18H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine?
2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine has a molecular weight of 437.55 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine is sourced from PubChem (CID 167701142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).