BYOCNAYGVPUEGU-QFIPXVFZSA-N

Name: BYOCNAYGVPUEGU-QFIPXVFZSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₃₂N₈O₃ — CID 59436321

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate

SMILESCOC(=O)[C@]1(C)CC(C)(C)CN1c1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CCOCC2)n1

InChIInChI=1S/C22H32N8O3/c1-21(2)12-22(3,17(31)32-4)30(13-21)20-25-18(23-16-11-15(27-28-16)14-5-6-14)24-19(26-20)29-7-9-33-10-8-29/h11,14H,5-10,12-13H2,1-4H3,(H2,23,24,25,26,27,28)/t22-/m0/s1

InChIKeyBYOCNAYGVPUEGU-QFIPXVFZSA-N

MW456.55 g/mol

LogP2.22

Rot. Bonds6

About BYOCNAYGVPUEGU-QFIPXVFZSA-N

BYOCNAYGVPUEGU-QFIPXVFZSA-N (PubChem CID 59436321) has the molecular formula C₂₂H₃₂N₈O₃ and a molecular weight of 456.55 g/mol. Its IUPAC name is methyl (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name	BYOCNAYGVPUEGU-QFIPXVFZSA-N
PubChem CID	59436321
Molecular Formula	C₂₂H₃₂N₈O₃
Molecular Weight	456.55 g/mol
Exact Mass	456.26
IUPAC Name	methyl (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate
SMILES	COC(=O)[C@]1(C)CC(C)(C)CN1c1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CCOCC2)n1
InChI	InChI=1S/C22H32N8O3/c1-21(2)12-22(3,17(31)32-4)30(13-21)20-25-18(23-16-11-15(27-28-16)14-5-6-14)24-19(26-20)29-7-9-33-10-8-29/h11,14H,5-10,12-13H2,1-4H3,(H2,23,24,25,26,27,28)/t22-/m0/s1
InChIKey	BYOCNAYGVPUEGU-QFIPXVFZSA-N
XLogP	2.22
TPSA	121.39 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of BYOCNAYGVPUEGU-QFIPXVFZSA-N?

The IUPAC name of BYOCNAYGVPUEGU-QFIPXVFZSA-N (CID 59436321) is methyl (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate.

What is the SMILES notation for BYOCNAYGVPUEGU-QFIPXVFZSA-N?

The canonical SMILES for BYOCNAYGVPUEGU-QFIPXVFZSA-N is COC(=O)[C@]1(C)CC(C)(C)CN1c1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CCOCC2)n1.

What is the InChIKey of BYOCNAYGVPUEGU-QFIPXVFZSA-N?

The InChIKey is BYOCNAYGVPUEGU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H32N8O3/c1-21(2)12-22(3,17(31)32-4)30(13-21)20-25-18(23-16-11-15(27-28-16)14-5-6-14)24-19(26-20)29-7-9-33-10-8-29/h11,14H,5-10,12-13H2,1-4H3,(H2,23,24,25,26,27,28)/t22-/m0/s1.

What are the key properties of BYOCNAYGVPUEGU-QFIPXVFZSA-N?

BYOCNAYGVPUEGU-QFIPXVFZSA-N has a molecular weight of 456.55 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for BYOCNAYGVPUEGU-QFIPXVFZSA-N is sourced from PubChem (CID 59436321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 59436321 — identifiers, structure, computed properties (public domain)

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