4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine

C32H39FN6O2 — CID 71132604

IUPAC4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CN(CCOC)Cc2ccccc2OCC)CC3)n1
InChIInChI=1S/C32H39FN6O2/c1-4-17-34-32-35-18-16-27(36-32)31-30(23-10-12-25(33)13-11-23)37-29-15-14-26(39(29)31)22-38(19-20-40-3)21-24-8-6-7-9-28(24)41-5-2/h6-13,16,18,26H,4-5,14-15,17,19-22H2,1-3H3,(H,34,35,36)
InChIKeyIMRGBPVTPLDFTD-UHFFFAOYSA-N
MW558.70 g/mol
LogP6.00
Rot. Bonds14

About 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine

4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (PubChem CID 71132604) has the molecular formula C32H39FN6O2 and a molecular weight of 558.70 g/mol. Its IUPAC name is 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
PubChem CID71132604
Molecular FormulaC32H39FN6O2
Molecular Weight558.70 g/mol
Exact Mass558.31
IUPAC Name4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CN(CCOC)Cc2ccccc2OCC)CC3)n1
InChIInChI=1S/C32H39FN6O2/c1-4-17-34-32-35-18-16-27(36-32)31-30(23-10-12-25(33)13-11-23)37-29-15-14-26(39(29)31)22-38(19-20-40-3)21-24-8-6-7-9-28(24)41-5-2/h6-13,16,18,26H,4-5,14-15,17,19-22H2,1-3H3,(H,34,35,36)
InChIKeyIMRGBPVTPLDFTD-UHFFFAOYSA-N
XLogP6.00
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.70
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (CID 71132604) is 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine is CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CN(CCOC)Cc2ccccc2OCC)CC3)n1.
What is the InChIKey of 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The InChIKey is IMRGBPVTPLDFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN6O2/c1-4-17-34-32-35-18-16-27(36-32)31-30(23-10-12-25(33)13-11-23)37-29-15-14-26(39(29)31)22-38(19-20-40-3)21-24-8-6-7-9-28(24)41-5-2/h6-13,16,18,26H,4-5,14-15,17,19-22H2,1-3H3,(H,34,35,36).
What are the key properties of 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine has a molecular weight of 558.70 g/mol, XLogP of 6.00, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 71132604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).