2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine

C20H25N7 — CID 42885236

IUPAC2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN2CCn3cccc3C2C)n1
InChIInChI=1S/C20H25N7/c1-3-15-7-4-5-8-16(15)22-20-24-18(23-19(21)25-20)13-27-12-11-26-10-6-9-17(26)14(27)2/h4-10,14H,3,11-13H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyGGMMDOHWLYISFD-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.14
Rot. Bonds5

About 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine

2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 42885236) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID42885236
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN2CCn3cccc3C2C)n1
InChIInChI=1S/C20H25N7/c1-3-15-7-4-5-8-16(15)22-20-24-18(23-19(21)25-20)13-27-12-11-26-10-6-9-17(26)14(27)2/h4-10,14H,3,11-13H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyGGMMDOHWLYISFD-UHFFFAOYSA-N
XLogP3.14
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 42885236) is 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine is CCc1ccccc1Nc1nc(N)nc(CN2CCn3cccc3C2C)n1.
What is the InChIKey of 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GGMMDOHWLYISFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-3-15-7-4-5-8-16(15)22-20-24-18(23-19(21)25-20)13-27-12-11-26-10-6-9-17(26)14(27)2/h4-10,14H,3,11-13H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 42885236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).