4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine

C26H28FN7O — CID 59641271

IUPAC4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nc(C)cnc2C)CC3)n1
InChIInChI=1S/C26H28FN7O/c1-4-12-28-26-29-13-11-21(32-26)24-23(18-5-7-19(27)8-6-18)33-22-10-9-20(34(22)24)15-35-25-17(3)30-14-16(2)31-25/h5-8,11,13-14,20H,4,9-10,12,15H2,1-3H3,(H,28,29,32)
InChIKeyWCAPTUQZBFOKSU-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.94
Rot. Bonds8

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

4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (PubChem CID 59641271) has the molecular formula C26H28FN7O and a molecular weight of 473.56 g/mol. Its IUPAC name is 4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
PubChem CID59641271
Molecular FormulaC26H28FN7O
Molecular Weight473.56 g/mol
Exact Mass473.23
IUPAC Name4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nc(C)cnc2C)CC3)n1
InChIInChI=1S/C26H28FN7O/c1-4-12-28-26-29-13-11-21(32-26)24-23(18-5-7-19(27)8-6-18)33-22-10-9-20(34(22)24)15-35-25-17(3)30-14-16(2)31-25/h5-8,11,13-14,20H,4,9-10,12,15H2,1-3H3,(H,28,29,32)
InChIKeyWCAPTUQZBFOKSU-UHFFFAOYSA-N
XLogP4.94
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-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-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (CID 59641271) is 4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-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-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-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(COc2nc(C)cnc2C)CC3)n1.
What is the InChIKey of 4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The InChIKey is WCAPTUQZBFOKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O/c1-4-12-28-26-29-13-11-21(32-26)24-23(18-5-7-19(27)8-6-18)33-22-10-9-20(34(22)24)15-35-25-17(3)30-14-16(2)31-25/h5-8,11,13-14,20H,4,9-10,12,15H2,1-3H3,(H,28,29,32).
What are the key properties of 4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine has a molecular weight of 473.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,6-dimethylpyrazin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 59641271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).