2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide

C12H21N7O — CID 77053306

IUPAC2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCN(C)c1nccc(N2CCN(CC(N)=NO)CC2)n1
InChIInChI=1S/C12H21N7O/c1-17(2)12-14-4-3-11(15-12)19-7-5-18(6-8-19)9-10(13)16-20/h3-4,20H,5-9H2,1-2H3,(H2,13,16)
InChIKeyPQFCXYXZNXRFNX-UHFFFAOYSA-N
MW279.35 g/mol
LogP-0.59
Rot. Bonds4

About 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 77053306) has the molecular formula C12H21N7O and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID77053306
Molecular FormulaC12H21N7O
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCN(C)c1nccc(N2CCN(CC(N)=NO)CC2)n1
InChIInChI=1S/C12H21N7O/c1-17(2)12-14-4-3-11(15-12)19-7-5-18(6-8-19)9-10(13)16-20/h3-4,20H,5-9H2,1-2H3,(H2,13,16)
InChIKeyPQFCXYXZNXRFNX-UHFFFAOYSA-N
XLogP-0.59
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64829856
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 154829661
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
CID 111442513
4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol
CID 75470946
N'-hydroxy-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanimidamide
CID 77011764
N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
CID 57368864
N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide
CID 77011953
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166284237
2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 114869111
4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 99792009
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77058053
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 154575829

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide (CID 77053306) is 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide is CN(C)c1nccc(N2CCN(CC(N)=NO)CC2)n1.
What is the InChIKey of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is PQFCXYXZNXRFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O/c1-17(2)12-14-4-3-11(15-12)19-7-5-18(6-8-19)9-10(13)16-20/h3-4,20H,5-9H2,1-2H3,(H2,13,16).
What are the key properties of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 279.35 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77053306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).