furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone

C21H23N5O2 — CID 112890442

IUPACfuran-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ccc(CNc2nccc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C21H23N5O2/c1-16-4-6-17(7-5-16)15-23-21-22-9-8-19(24-21)25-10-12-26(13-11-25)20(27)18-3-2-14-28-18/h2-9,14H,10-13,15H2,1H3,(H,22,23,24)
InChIKeyNINQYPJXUVOBGE-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.95
Rot. Bonds5

About furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 112890442) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID112890442
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Namefuran-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ccc(CNc2nccc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C21H23N5O2/c1-16-4-6-17(7-5-16)15-23-21-22-9-8-19(24-21)25-10-12-26(13-11-25)20(27)18-3-2-14-28-18/h2-9,14H,10-13,15H2,1H3,(H,22,23,24)
InChIKeyNINQYPJXUVOBGE-UHFFFAOYSA-N
XLogP2.95
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
N-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112890443
furan-2-yl-[4-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112919591
furan-2-yl-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047675
[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109304475
[4-[2-(2-fluoroanilino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112898647
furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112898656
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109310523
[4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112912995
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885070
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 112890442) is furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1ccc(CNc2nccc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1.
What is the InChIKey of furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is NINQYPJXUVOBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-16-4-6-17(7-5-16)15-23-21-22-9-8-19(24-21)25-10-12-26(13-11-25)20(27)18-3-2-14-28-18/h2-9,14H,10-13,15H2,1H3,(H,22,23,24).
What are the key properties of furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 377.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 112890442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).