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

C22H25N5O2 — CID 109367950

IUPAC(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
SMILESCc1nc(NCc2ccco2)cc(C(=O)N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H25N5O2/c1-17-24-20(14-21(25-17)23-15-19-8-5-13-29-19)22(28)27-11-9-26(10-12-27)16-18-6-3-2-4-7-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,24,25)
InChIKeyUGJNMKZYLGXGSW-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.95
Rot. Bonds6

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

(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone (PubChem CID 109367950) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
PubChem CID109367950
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
SMILESCc1nc(NCc2ccco2)cc(C(=O)N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H25N5O2/c1-17-24-20(14-21(25-17)23-15-19-8-5-13-29-19)22(28)27-11-9-26(10-12-27)16-18-6-3-2-4-7-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,24,25)
InChIKeyUGJNMKZYLGXGSW-UHFFFAOYSA-N
XLogP2.95
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346152
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367301
2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367986
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
ethyl 4-[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109368258
6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109367982
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364262
N-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
(4-ethylpiperazin-1-yl)-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109367302
6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109368044
N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367979
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367935

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone (CID 109367950) is (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone is Cc1nc(NCc2ccco2)cc(C(=O)N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone?
The InChIKey is UGJNMKZYLGXGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-17-24-20(14-21(25-17)23-15-19-8-5-13-29-19)22(28)27-11-9-26(10-12-27)16-18-6-3-2-4-7-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,24,25).
What are the key properties of (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109367950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).