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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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).