N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide

C10H15N5O2 — CID 79680518

IUPACN'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide
SMILESCc1ccnc(N2CCOC(C(N)=NO)C2)n1
InChIInChI=1S/C10H15N5O2/c1-7-2-3-12-10(13-7)15-4-5-17-8(6-15)9(11)14-16/h2-3,8,16H,4-6H2,1H3,(H2,11,14)
InChIKeyOZWJZMZPUZAEPQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.26
Rot. Bonds2

About N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide

N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide (PubChem CID 79680518) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide
PubChem CID79680518
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide
SMILESCc1ccnc(N2CCOC(C(N)=NO)C2)n1
InChIInChI=1S/C10H15N5O2/c1-7-2-3-12-10(13-7)15-4-5-17-8(6-15)9(11)14-16/h2-3,8,16H,4-6H2,1H3,(H2,11,14)
InChIKeyOZWJZMZPUZAEPQ-UHFFFAOYSA-N
XLogP-0.26
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.26
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide (CID 79680518) is N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide is Cc1ccnc(N2CCOC(C(N)=NO)C2)n1.
What is the InChIKey of N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide?
The InChIKey is OZWJZMZPUZAEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-7-2-3-12-10(13-7)15-4-5-17-8(6-15)9(11)14-16/h2-3,8,16H,4-6H2,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide?
N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide has a molecular weight of 237.26 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide is sourced from PubChem (CID 79680518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).