5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile

C27H25FN6O2 — CID 155787999

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCOCC4)cc3)c2n1
InChIInChI=1S/C27H25FN6O2/c28-24-5-6-25-21(7-10-36-25)23(24)15-31-27-30-14-22(26-32-20(13-29)17-34(26)27)19-3-1-18(2-4-19)16-33-8-11-35-12-9-33/h1-6,14,17H,7-12,15-16H2,(H,30,31)
InChIKeyYEMHYUOUSNCKFN-UHFFFAOYSA-N
MW484.54 g/mol
LogP3.79
Rot. Bonds6

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155787999) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155787999
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCOCC4)cc3)c2n1
InChIInChI=1S/C27H25FN6O2/c28-24-5-6-25-21(7-10-36-25)23(24)15-31-27-30-14-22(26-32-20(13-29)17-34(26)27)19-3-1-18(2-4-19)16-33-8-11-35-12-9-33/h1-6,14,17H,7-12,15-16H2,(H,30,31)
InChIKeyYEMHYUOUSNCKFN-UHFFFAOYSA-N
XLogP3.79
TPSA87.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155787999) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCOCC4)cc3)c2n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is YEMHYUOUSNCKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c28-24-5-6-25-21(7-10-36-25)23(24)15-31-27-30-14-22(26-32-20(13-29)17-34(26)27)19-3-1-18(2-4-19)16-33-8-11-35-12-9-33/h1-6,14,17H,7-12,15-16H2,(H,30,31).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 484.54 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155787999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).