N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C19H27N7O — CID 119117305

IUPACN'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\CC(c1ccco1)N1CCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H27N7O/c20-18(25-10-12-26(13-11-25)19-21-6-4-7-22-19)23-15-16(17-5-3-14-27-17)24-8-1-2-9-24/h3-7,14,16H,1-2,8-13,15H2,(H2,20,23)
InChIKeyRNZUHHVUOJXHDU-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.34
Rot. Bonds5

About N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 119117305) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID119117305
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\CC(c1ccco1)N1CCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H27N7O/c20-18(25-10-12-26(13-11-25)19-21-6-4-7-22-19)23-15-16(17-5-3-14-27-17)24-8-1-2-9-24/h3-7,14,16H,1-2,8-13,15H2,(H2,20,23)
InChIKeyRNZUHHVUOJXHDU-UHFFFAOYSA-N
XLogP1.34
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide 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

N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117242
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111028674
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylguanidine
CID 119117303
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661071
N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661059
1-cyclopentyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 119117307
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111027441
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine
CID 110913966
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111028642
1,1-diethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111027437
N'-(2-phenylsulfanylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119148330
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-prop-2-enylguanidine
CID 54726546

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 119117305) is N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is N/C(=N\CC(c1ccco1)N1CCCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is RNZUHHVUOJXHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c20-18(25-10-12-26(13-11-25)19-21-6-4-7-22-19)23-15-16(17-5-3-14-27-17)24-8-1-2-9-24/h3-7,14,16H,1-2,8-13,15H2,(H2,20,23).
What are the key properties of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 369.47 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 119117305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).