N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C17H27N7O — CID 122101684

IUPACN'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCCCN1CC(C/N=C(\N)N2CCN(c3ncccn3)CC2)CC1=O
InChIInChI=1S/C17H27N7O/c1-2-6-24-13-14(11-15(24)25)12-21-16(18)22-7-9-23(10-8-22)17-19-4-3-5-20-17/h3-5,14H,2,6-13H2,1H3,(H2,18,21)
InChIKeyJDKVHOVXDKVEAZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.17
Rot. Bonds5

About N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 122101684) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID122101684
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC NameN'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCCCN1CC(C/N=C(\N)N2CCN(c3ncccn3)CC2)CC1=O
InChIInChI=1S/C17H27N7O/c1-2-6-24-13-14(11-15(24)25)12-21-16(18)22-7-9-23(10-8-22)17-19-4-3-5-20-17/h3-5,14H,2,6-13H2,1H3,(H2,18,21)
InChIKeyJDKVHOVXDKVEAZ-UHFFFAOYSA-N
XLogP0.17
TPSA90.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-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

4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 122101547
N'-[(3-methoxyoxan-4-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122097394
N'-[[(2R)-oxolan-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122097338
N'-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119813
tert-butyl 2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]acetate;hydroiodide
CID 119146782
N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119161148
N'-[(1-methylsulfanylcyclopropyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120605910
4-pyrimidin-2-yl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 119120543
N'-(2-bicyclo[2.2.1]heptanylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119120739
2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]-N-propan-2-ylacetamide
CID 119117614
N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
N'-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120972934

Frequently Asked Questions

What is the IUPAC name of N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 122101684) is N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is CCCN1CC(C/N=C(\N)N2CCN(c3ncccn3)CC2)CC1=O.
What is the InChIKey of N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is JDKVHOVXDKVEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-2-6-24-13-14(11-15(24)25)12-21-16(18)22-7-9-23(10-8-22)17-19-4-3-5-20-17/h3-5,14H,2,6-13H2,1H3,(H2,18,21).
What are the key properties of N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 345.45 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 122101684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).