2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine

C17H29N7O — CID 167778946

IUPAC2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CN(c2ncnc(N3C[C@H]4CNC[C@H]4C3)n2)CCO1
InChIInChI=1S/C17H29N7O/c1-22(2)4-3-15-11-23(5-6-25-15)16-19-12-20-17(21-16)24-9-13-7-18-8-14(13)10-24/h12-15,18H,3-11H2,1-2H3/t13-,14+,15?
InChIKeyFTTPEIIITAEROJ-YIONKMFJSA-N
MW347.47 g/mol
LogP-0.32
Rot. Bonds5

About 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine

2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine (PubChem CID 167778946) has the molecular formula C17H29N7O and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine
PubChem CID167778946
Molecular FormulaC17H29N7O
Molecular Weight347.47 g/mol
Exact Mass347.24
IUPAC Name2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CN(c2ncnc(N3C[C@H]4CNC[C@H]4C3)n2)CCO1
InChIInChI=1S/C17H29N7O/c1-22(2)4-3-15-11-23(5-6-25-15)16-19-12-20-17(21-16)24-9-13-7-18-8-14(13)10-24/h12-15,18H,3-11H2,1-2H3/t13-,14+,15?
InChIKeyFTTPEIIITAEROJ-YIONKMFJSA-N
XLogP-0.32
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

2-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 56869919
(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine
CID 164637809
4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
CID 110116477
4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 131900324
N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110114051
5-[[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 28729555
2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine
CID 97187203
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
N,N-dimethyl-6-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-amine
CID 50962473
N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110094509
N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine
CID 138728331
2-ethyl-4-(5-iodopyrimidin-2-yl)morpholine
CID 104840022

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine (CID 167778946) is 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine is CN(C)CCC1CN(c2ncnc(N3C[C@H]4CNC[C@H]4C3)n2)CCO1.
What is the InChIKey of 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine?
The InChIKey is FTTPEIIITAEROJ-YIONKMFJSA-N. The full InChI is InChI=1S/C17H29N7O/c1-22(2)4-3-15-11-23(5-6-25-15)16-19-12-20-17(21-16)24-9-13-7-18-8-14(13)10-24/h12-15,18H,3-11H2,1-2H3/t13-,14+,15?.
What are the key properties of 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine?
2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine has a molecular weight of 347.47 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 167778946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).