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

C11H17N5O — CID 79676340

IUPAC4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2nc(C)cc(C)n2)CCO1
InChIInChI=1S/C11H17N5O/c1-7-5-8(2)15-11(14-7)16-3-4-17-9(6-16)10(12)13/h5,9H,3-4,6H2,1-2H3,(H3,12,13)
InChIKeyICVPSKFVLHMKCD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.23
Rot. Bonds2

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

4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide (PubChem CID 79676340) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide
PubChem CID79676340
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2nc(C)cc(C)n2)CCO1
InChIInChI=1S/C11H17N5O/c1-7-5-8(2)15-11(14-7)16-3-4-17-9(6-16)10(12)13/h5,9H,3-4,6H2,1-2H3,(H3,12,13)
InChIKeyICVPSKFVLHMKCD-UHFFFAOYSA-N
XLogP0.23
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide (CID 79676340) is 4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(c2nc(C)cc(C)n2)CCO1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide?
The InChIKey is ICVPSKFVLHMKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-5-8(2)15-11(14-7)16-3-4-17-9(6-16)10(12)13/h5,9H,3-4,6H2,1-2H3,(H3,12,13).
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide?
4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide is sourced from PubChem (CID 79676340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).