4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide

C9H12IN5O — CID 79675597

IUPAC4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2ncncc2I)CCO1
InChIInChI=1S/C9H12IN5O/c10-6-3-13-5-14-9(6)15-1-2-16-7(4-15)8(11)12/h3,5,7H,1-2,4H2,(H3,11,12)
InChIKeyJPWUDSBATZTMOV-UHFFFAOYSA-N
MW333.13 g/mol
LogP0.22
Rot. Bonds2

About 4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide

4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide (PubChem CID 79675597) has the molecular formula C9H12IN5O and a molecular weight of 333.13 g/mol. Its IUPAC name is 4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide
PubChem CID79675597
Molecular FormulaC9H12IN5O
Molecular Weight333.13 g/mol
Exact Mass333.01
IUPAC Name4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2ncncc2I)CCO1
InChIInChI=1S/C9H12IN5O/c10-6-3-13-5-14-9(6)15-1-2-16-7(4-15)8(11)12/h3,5,7H,1-2,4H2,(H3,11,12)
InChIKeyJPWUDSBATZTMOV-UHFFFAOYSA-N
XLogP0.22
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 50.22
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide
CID 79727211
4-pyridin-2-ylmorpholine-2-carboximidamide
CID 79676161
4-(1-methylimidazo[4,5-c]pyridin-4-yl)morpholine-2-carboximidamide
CID 103385326
4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide
CID 79676340
4-quinazolin-2-ylmorpholine-2-carboximidamide
CID 114788809
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide
CID 79676627
4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide
CID 79676825
4-morpholin-4-ylpyrimidine-5-carboximidamide
CID 83883158
4-methylmorpholine-2-carboximidamide
CID 75481075
1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553204
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79680379
4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676156

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide?
The IUPAC name of 4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide (CID 79675597) is 4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(c2ncncc2I)CCO1.
What is the InChIKey of 4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide?
The InChIKey is JPWUDSBATZTMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN5O/c10-6-3-13-5-14-9(6)15-1-2-16-7(4-15)8(11)12/h3,5,7H,1-2,4H2,(H3,11,12).
What are the key properties of 4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide?
4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide has a molecular weight of 333.13 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide is sourced from PubChem (CID 79675597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).