2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine

C24H26N8 — CID 167706512

IUPAC2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine
SMILESCc1cccc(-c2nccc(Cc3ccnc(Cc4cnn(C5CCCNC5)c4)n3)n2)n1
InChIInChI=1S/C24H26N8/c1-17-4-2-6-22(29-17)24-27-11-8-20(31-24)13-19-7-10-26-23(30-19)12-18-14-28-32(16-18)21-5-3-9-25-15-21/h2,4,6-8,10-11,14,16,21,25H,3,5,9,12-13,15H2,1H3
InChIKeyZEFKLESHEUKFPN-UHFFFAOYSA-N
MW426.53 g/mol
LogP2.94
Rot. Bonds6

About 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine

2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine (PubChem CID 167706512) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine
PubChem CID167706512
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine
SMILESCc1cccc(-c2nccc(Cc3ccnc(Cc4cnn(C5CCCNC5)c4)n3)n2)n1
InChIInChI=1S/C24H26N8/c1-17-4-2-6-22(29-17)24-27-11-8-20(31-24)13-19-7-10-26-23(30-19)12-18-14-28-32(16-18)21-5-3-9-25-15-21/h2,4,6-8,10-11,14,16,21,25H,3,5,9,12-13,15H2,1H3
InChIKeyZEFKLESHEUKFPN-UHFFFAOYSA-N
XLogP2.94
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine with MolForge

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Related Compounds

3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine
CID 167697841
N-methyl-1-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylpiperidin-4-amine
CID 167612736
[(3R)-piperidin-3-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate
CID 167558951
2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide
CID 167532002
N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide
CID 167599037
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,N-dimethyl-1-[(3S)-piperidin-3-yl]pyrazol-4-amine
CID 170247526
[(3S)-pyrrolidin-3-yl] 1-[[5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]-3-pyridinyl]methyl]azetidine-3-carboxylate
CID 167660920
2-[[4-(aminomethyl)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167629644
N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]piperidine-4-carboxamide
CID 167648390
2-[[4-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167653197
(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
CID 170927501

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine (CID 167706512) is 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine is Cc1cccc(-c2nccc(Cc3ccnc(Cc4cnn(C5CCCNC5)c4)n3)n2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine?
The InChIKey is ZEFKLESHEUKFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-17-4-2-6-22(29-17)24-27-11-8-20(31-24)13-19-7-10-26-23(30-19)12-18-14-28-32(16-18)21-5-3-9-25-15-21/h2,4,6-8,10-11,14,16,21,25H,3,5,9,12-13,15H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine?
2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine has a molecular weight of 426.53 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine is sourced from PubChem (CID 167706512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).