2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide

C14H22N6O — CID 136906689

IUPAC2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C14H22N6O/c15-13(18-21)12-5-6-16-14(17-12)20-9-7-19(8-10-20)11-3-1-2-4-11/h5-6,11,21H,1-4,7-10H2,(H2,15,18)
InChIKeyFXWPLDGYVWZTFE-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.64
Rot. Bonds3

About 2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide

2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136906689) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136906689
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C14H22N6O/c15-13(18-21)12-5-6-16-14(17-12)20-9-7-19(8-10-20)11-3-1-2-4-11/h5-6,11,21H,1-4,7-10H2,(H2,15,18)
InChIKeyFXWPLDGYVWZTFE-UHFFFAOYSA-N
XLogP0.64
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136986695
N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
CID 136906717
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 136906998
N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
CID 136906849
N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
CID 136906851
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906728
2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906855
2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553688
3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide
CID 136739363
2-(2,2-dimethylthiomorpholin-4-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906933
2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine
CID 170175295
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide (CID 136906689) is 2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide is N/C(=N/O)c1ccnc(N2CCN(C3CCCC3)CC2)n1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is FXWPLDGYVWZTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c15-13(18-21)12-5-6-16-14(17-12)20-9-7-19(8-10-20)11-3-1-2-4-11/h5-6,11,21H,1-4,7-10H2,(H2,15,18).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136906689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).