[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone

C21H22FN5O2 — CID 109326797

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nc(NCc2ccco2)n1
InChIInChI=1S/C21H22FN5O2/c1-15-13-19(25-21(24-15)23-14-18-3-2-12-29-18)20(28)27-10-8-26(9-11-27)17-6-4-16(22)5-7-17/h2-7,12-13H,8-11,14H2,1H3,(H,23,24,25)
InChIKeyHHCRFKLIMSRCNE-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.09
Rot. Bonds5

About [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone (PubChem CID 109326797) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone
PubChem CID109326797
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nc(NCc2ccco2)n1
InChIInChI=1S/C21H22FN5O2/c1-15-13-19(25-21(24-15)23-14-18-3-2-12-29-18)20(28)27-10-8-26(9-11-27)17-6-4-16(22)5-7-17/h2-7,12-13H,8-11,14H2,1H3,(H,23,24,25)
InChIKeyHHCRFKLIMSRCNE-UHFFFAOYSA-N
XLogP3.09
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone with MolForge

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209475
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109231488
[2-(furan-2-ylmethylamino)pyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109303310
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303288
[4-(furan-2-ylmethylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109209484
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318950
[2-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109255106
[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109320855
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318924
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319469

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone (CID 109326797) is [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nc(NCc2ccco2)n1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone?
The InChIKey is HHCRFKLIMSRCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-15-13-19(25-21(24-15)23-14-18-3-2-12-29-18)20(28)27-10-8-26(9-11-27)17-6-4-16(22)5-7-17/h2-7,12-13H,8-11,14H2,1H3,(H,23,24,25).
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109326797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).