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

C20H20FN5O2 — CID 109346154

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NCc2ccco2)ncn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN5O2/c21-15-3-5-16(6-4-15)25-7-9-26(10-8-25)20(27)18-12-19(24-14-23-18)22-13-17-2-1-11-28-17/h1-6,11-12,14H,7-10,13H2,(H,22,23,24)
InChIKeyGMLSMHRCXGILKH-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.78
Rot. Bonds5

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

[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 109346154) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
PubChem CID109346154
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NCc2ccco2)ncn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN5O2/c21-15-3-5-16(6-4-15)25-7-9-26(10-8-25)20(27)18-12-19(24-14-23-18)22-13-17-2-1-11-28-17/h1-6,11-12,14H,7-10,13H2,(H,22,23,24)
InChIKeyGMLSMHRCXGILKH-UHFFFAOYSA-N
XLogP2.78
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209475
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346165
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone
CID 109326797
(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346152
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109231488
[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109169331
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536
N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346291
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
[2-(furan-2-ylmethylamino)pyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109303310
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279509
[4-(furan-2-ylmethylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109209484

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone (CID 109346154) is [4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone is O=C(c1cc(NCc2ccco2)ncn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The InChIKey is GMLSMHRCXGILKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-15-3-5-16(6-4-15)25-7-9-26(10-8-25)20(27)18-12-19(24-14-23-18)22-13-17-2-1-11-28-17/h1-6,11-12,14H,7-10,13H2,(H,22,23,24).
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 2.78, 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]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109346154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).