[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone

C21H21N5O3 — CID 109310523

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone
SMILESCc1ccc(Nc2nccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C21H21N5O3/c1-15-4-6-16(7-5-15)23-21-22-9-8-17(24-21)19(27)25-10-12-26(13-11-25)20(28)18-3-2-14-29-18/h2-9,14H,10-13H2,1H3,(H,22,23,24)
InChIKeyULBSGZSNGQQGHR-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.72
Rot. Bonds4

About [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone (PubChem CID 109310523) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone
PubChem CID109310523
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone
SMILESCc1ccc(Nc2nccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C21H21N5O3/c1-15-4-6-16(7-5-15)23-21-22-9-8-17(24-21)19(27)25-10-12-26(13-11-25)20(28)18-3-2-14-29-18/h2-9,14H,10-13H2,1H3,(H,22,23,24)
InChIKeyULBSGZSNGQQGHR-UHFFFAOYSA-N
XLogP2.72
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109310528
(4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109302586
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759
furan-2-yl-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047675
4-(2-anilinopyrimidine-4-carbonyl)piperazine-1-carboxylic acid
CID 174220417
[2-(4-bromoanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302300
furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112890442
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 34470311
[2-(diethylamino)pyrimidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109310510
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109302322

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone (CID 109310523) is [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone is Cc1ccc(Nc2nccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone?
The InChIKey is ULBSGZSNGQQGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-15-4-6-16(7-5-15)23-21-22-9-8-17(24-21)19(27)25-10-12-26(13-11-25)20(28)18-3-2-14-29-18/h2-9,14H,10-13H2,1H3,(H,22,23,24).
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone has a molecular weight of 391.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109310523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).