[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C27H25FN4O2 — CID 44522168

IUPAC[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc(-c2ccccc2)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccccc1F
InChIInChI=1S/C27H25FN4O2/c1-19-22(18-21-10-5-6-11-23(21)28)26(30-25(29-19)20-8-3-2-4-9-20)31-13-15-32(16-14-31)27(33)24-12-7-17-34-24/h2-12,17H,13-16,18H2,1H3
InChIKeyHMQBUDRQGREUIR-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.74
Rot. Bonds5

About [4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 44522168) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is [4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID44522168
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC Name[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc(-c2ccccc2)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccccc1F
InChIInChI=1S/C27H25FN4O2/c1-19-22(18-21-10-5-6-11-23(21)28)26(30-25(29-19)20-8-3-2-4-9-20)31-13-15-32(16-14-31)27(33)24-12-7-17-34-24/h2-12,17H,13-16,18H2,1H3
InChIKeyHMQBUDRQGREUIR-UHFFFAOYSA-N
XLogP4.74
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 44522168) is [4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccccc1F.
What is the InChIKey of [4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is HMQBUDRQGREUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-19-22(18-21-10-5-6-11-23(21)28)26(30-25(29-19)20-8-3-2-4-9-20)31-13-15-32(16-14-31)27(33)24-12-7-17-34-24/h2-12,17H,13-16,18H2,1H3.
What are the key properties of [4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 456.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 44522168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).