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

N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 756382
5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
(2-(Morpholin-4-yl)pyrimidin-5-yl)methanamine
CID 42556097
4-(Morpholin-4-yl)pyrimidin-5-amine
CID 79910418
2-{[5-Fluoro-2-(4-morpholinyl)-4-pyrimidinyl]amino}ethanol
CID 1945080
N~4~-ethyl-N~2~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
2-Amino-4-morpholin-4-yl-pyrimidine
CID 459824
4-(Pyrimidin-4-yl)morpholine
CID 13302370
2-(Morpholin-4-yl)pyrimidin-4-amine
CID 20228619
N4-(3-morpholinopropyl)pyrimidine-2,4-diamine
CID 459842
5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3147873

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).