N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide

C11H17N5O — CID 591014

IUPACN'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide
SMILESCc1cc(C)nc(N=C(N)N2CCOCC2)n1
InChIInChI=1S/C11H17N5O/c1-8-7-9(2)14-11(13-8)15-10(12)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDKCVBDHHCJHLCS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.37
Rot. Bonds1

About N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide

N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide (PubChem CID 591014) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide
PubChem CID591014
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide
SMILESCc1cc(C)nc(N=C(N)N2CCOCC2)n1
InChIInChI=1S/C11H17N5O/c1-8-7-9(2)14-11(13-8)15-10(12)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDKCVBDHHCJHLCS-UHFFFAOYSA-N
XLogP0.37
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide (CID 591014) is N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide is Cc1cc(C)nc(N=C(N)N2CCOCC2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide?
The InChIKey is DKCVBDHHCJHLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8-7-9(2)14-11(13-8)15-10(12)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide?
N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide is sourced from PubChem (CID 591014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).