[1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol

C28H31N7O — CID 167559480

IUPAC[1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol
SMILESCc1cccc(-c2nccc(Nc3ccnc(Cc4ccc(CN5CCC(CO)CC5)cc4)n3)n2)n1
InChIInChI=1S/C28H31N7O/c1-20-3-2-4-24(31-20)28-30-14-10-26(34-28)32-25-9-13-29-27(33-25)17-21-5-7-22(8-6-21)18-35-15-11-23(19-36)12-16-35/h2-10,13-14,23,36H,11-12,15-19H2,1H3,(H,29,30,32,33,34)
InChIKeyDLNWNLLCCHTUGZ-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.18
Rot. Bonds8

About [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol

[1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 167559480) has the molecular formula C28H31N7O and a molecular weight of 481.60 g/mol. Its IUPAC name is [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol
PubChem CID167559480
Molecular FormulaC28H31N7O
Molecular Weight481.60 g/mol
Exact Mass481.26
IUPAC Name[1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol
SMILESCc1cccc(-c2nccc(Nc3ccnc(Cc4ccc(CN5CCC(CO)CC5)cc4)n3)n2)n1
InChIInChI=1S/C28H31N7O/c1-20-3-2-4-24(31-20)28-30-14-10-26(34-28)32-25-9-13-29-27(33-25)17-21-5-7-22(8-6-21)18-35-15-11-23(19-36)12-16-35/h2-10,13-14,23,36H,11-12,15-19H2,1H3,(H,29,30,32,33,34)
InChIKeyDLNWNLLCCHTUGZ-UHFFFAOYSA-N
XLogP4.18
TPSA99.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

(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]amino]phenyl]methyl]piperidin-4-yl]methanol
CID 166035778
[(3R)-1-methylpyrrolidin-3-yl] 1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate
CID 167658964
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
[(3R)-1-methylpyrrolidin-3-yl] 1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylate
CID 167602154
2-[[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167557877
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-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-[[3-(thiomorpholin-4-ylmethyl)phenyl]methyl]pyrimidin-4-amine
CID 167648816
[(3S)-1-methylpyrrolidin-3-yl] (3R)-1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-3-carboxylate
CID 167574989
2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167569287
2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol
CID 167544514

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol (CID 167559480) is [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol is Cc1cccc(-c2nccc(Nc3ccnc(Cc4ccc(CN5CCC(CO)CC5)cc4)n3)n2)n1.
What is the InChIKey of [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is DLNWNLLCCHTUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O/c1-20-3-2-4-24(31-20)28-30-14-10-26(34-28)32-25-9-13-29-27(33-25)17-21-5-7-22(8-6-21)18-35-15-11-23(19-36)12-16-35/h2-10,13-14,23,36H,11-12,15-19H2,1H3,(H,29,30,32,33,34).
What are the key properties of [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol?
[1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 481.60 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 167559480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).