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

C23H27FN6 — CID 59641084

IUPAC4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CN2CCC2)CC3)n1
InChIInChI=1S/C23H27FN6/c1-2-11-25-23-26-12-10-19(27-23)22-21(16-4-6-17(24)7-5-16)28-20-9-8-18(30(20)22)15-29-13-3-14-29/h4-7,10,12,18H,2-3,8-9,11,13-15H2,1H3,(H,25,26,27)
InChIKeyQKUYUWRJBFTDMN-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.16
Rot. Bonds7

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

4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (PubChem CID 59641084) has the molecular formula C23H27FN6 and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
PubChem CID59641084
Molecular FormulaC23H27FN6
Molecular Weight406.51 g/mol
Exact Mass406.23
IUPAC Name4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CN2CCC2)CC3)n1
InChIInChI=1S/C23H27FN6/c1-2-11-25-23-26-12-10-19(27-23)22-21(16-4-6-17(24)7-5-16)28-20-9-8-18(30(20)22)15-29-13-3-14-29/h4-7,10,12,18H,2-3,8-9,11,13-15H2,1H3,(H,25,26,27)
InChIKeyQKUYUWRJBFTDMN-UHFFFAOYSA-N
XLogP4.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (CID 59641084) is 4-[5-(azetidin-1-ylmethyl)-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-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(azetidin-1-ylmethyl)-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(CN2CCC2)CC3)n1.
What is the InChIKey of 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
The InChIKey is QKUYUWRJBFTDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6/c1-2-11-25-23-26-12-10-19(27-23)22-21(16-4-6-17(24)7-5-16)28-20-9-8-18(30(20)22)15-29-13-3-14-29/h4-7,10,12,18H,2-3,8-9,11,13-15H2,1H3,(H,25,26,27).
What are the key properties of 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?
4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine has a molecular weight of 406.51 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 59641084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).