4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

C25H24FN5O2 — CID 10225532

IUPAC4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(N)n4)n32)cc1
InChIInChI=1S/C25H24FN5O2/c1-32-20-9-2-16(3-10-20)14-33-15-19-8-11-22-30-23(17-4-6-18(26)7-5-17)24(31(19)22)21-12-13-28-25(27)29-21/h2-7,9-10,12-13,19H,8,11,14-15H2,1H3,(H2,27,28,29)/t19-/m0/s1
InChIKeyBKLYUVKUMMLBIJ-IBGZPJMESA-N
MW445.50 g/mol
LogP4.44
Rot. Bonds7

About 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 10225532) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
PubChem CID10225532
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(N)n4)n32)cc1
InChIInChI=1S/C25H24FN5O2/c1-32-20-9-2-16(3-10-20)14-33-15-19-8-11-22-30-23(17-4-6-18(26)7-5-17)24(31(19)22)21-12-13-28-25(27)29-21/h2-7,9-10,12-13,19H,8,11,14-15H2,1H3,(H2,27,28,29)/t19-/m0/s1
InChIKeyBKLYUVKUMMLBIJ-IBGZPJMESA-N
XLogP4.44
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 10225532) is 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is COc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(N)n4)n32)cc1.
What is the InChIKey of 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The InChIKey is BKLYUVKUMMLBIJ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-32-20-9-2-16(3-10-20)14-33-15-19-8-11-22-30-23(17-4-6-18(26)7-5-17)24(31(19)22)21-12-13-28-25(27)29-21/h2-7,9-10,12-13,19H,8,11,14-15H2,1H3,(H2,27,28,29)/t19-/m0/s1.
What are the key properties of 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 445.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10225532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).