furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone

C21H23N5O2 — CID 112875479

IUPACfuran-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(Nc2ccccc2C)cc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C21H23N5O2/c1-15-6-3-4-7-17(15)24-19-14-20(23-16(2)22-19)25-9-11-26(12-10-25)21(27)18-8-5-13-28-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,24)
InChIKeyPVCJJJCUUCRSGK-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.39
Rot. Bonds4

About furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 112875479) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID112875479
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Namefuran-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(Nc2ccccc2C)cc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C21H23N5O2/c1-15-6-3-4-7-17(15)24-19-14-20(23-16(2)22-19)25-9-11-26(12-10-25)21(27)18-8-5-13-28-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,24)
InChIKeyPVCJJJCUUCRSGK-UHFFFAOYSA-N
XLogP3.39
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112875500
furan-2-yl-[4-[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112873702
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone
CID 109216178
furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112863247
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 46267979
furan-2-yl-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047675
[4-[3-(2,4-dimethylanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957750

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 112875479) is furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(Nc2ccccc2C)cc(N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is PVCJJJCUUCRSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-6-3-4-7-17(15)24-19-14-20(23-16(2)22-19)25-9-11-26(12-10-25)21(27)18-8-5-13-28-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,24).
What are the key properties of furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 377.45 g/mol, XLogP of 3.39, 4 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-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 112875479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).