[(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate

C26H26N8O2 — CID 167532909

IUPAC[(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate
SMILESCc1cccc(-c2nccc(Nc3ccnc(Cc4ccc(C(=O)OC[C@H]5CCCN5)nc4)n3)n2)n1
InChIInChI=1S/C26H26N8O2/c1-17-4-2-6-20(31-17)25-29-13-10-23(34-25)32-22-9-12-28-24(33-22)14-18-7-8-21(30-15-18)26(35)36-16-19-5-3-11-27-19/h2,4,6-10,12-13,15,19,27H,3,5,11,14,16H2,1H3,(H,28,29,32,33,34)/t19-/m1/s1
InChIKeyAFEJBPYIUDEINJ-LJQANCHMSA-N
MW482.55 g/mol
LogP3.28
Rot. Bonds8

About [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate

[(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate (PubChem CID 167532909) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate
PubChem CID167532909
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name[(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate
SMILESCc1cccc(-c2nccc(Nc3ccnc(Cc4ccc(C(=O)OC[C@H]5CCCN5)nc4)n3)n2)n1
InChIInChI=1S/C26H26N8O2/c1-17-4-2-6-20(31-17)25-29-13-10-23(34-25)32-22-9-12-28-24(33-22)14-18-7-8-21(30-15-18)26(35)36-16-19-5-3-11-27-19/h2,4,6-10,12-13,15,19,27H,3,5,11,14,16H2,1H3,(H,28,29,32,33,34)/t19-/m1/s1
InChIKeyAFEJBPYIUDEINJ-LJQANCHMSA-N
XLogP3.28
TPSA127.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

[(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
N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]piperidine-4-carboxamide
CID 167648390
2-[[4-(aminomethyl)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167629644
azetidin-3-ylmethyl 2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-4-carboxylate
CID 167547438
2-piperidin-4-ylethyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]pyridine-2-carboxylate
CID 166036009
4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-[4-[[(2R)-pyrrolidin-2-yl]methylamino]phenyl]pyrimidine-2,4-diamine
CID 166035624
[(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-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167666790
2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol
CID 167544514
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
methyl 4-[2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]anilino]ethyl]piperazine-2-carboxylate
CID 167682877
(3S)-1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]methyl]pyrrolidin-3-ol
CID 167562070

Frequently Asked Questions

What is the IUPAC name of [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate (CID 167532909) is [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate is Cc1cccc(-c2nccc(Nc3ccnc(Cc4ccc(C(=O)OC[C@H]5CCCN5)nc4)n3)n2)n1.
What is the InChIKey of [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate?
The InChIKey is AFEJBPYIUDEINJ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-17-4-2-6-20(31-17)25-29-13-10-23(34-25)32-22-9-12-28-24(33-22)14-18-7-8-21(30-15-18)26(35)36-16-19-5-3-11-27-19/h2,4,6-10,12-13,15,19,27H,3,5,11,14,16H2,1H3,(H,28,29,32,33,34)/t19-/m1/s1.
What are the key properties of [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate?
[(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate has a molecular weight of 482.55 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-pyrrolidin-2-yl]methyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 167532909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).