4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine

C12H18IN3O — CID 102745301

IUPAC4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(c2ncncc2I)CC(C)(C)O1
InChIInChI=1S/C12H18IN3O/c1-11(2)6-16(7-12(3,4)17-11)10-9(13)5-14-8-15-10/h5,8H,6-7H2,1-4H3
InChIKeyMFOISENDAPNWRA-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.47
Rot. Bonds1

About 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine

4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine (PubChem CID 102745301) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
PubChem CID102745301
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(c2ncncc2I)CC(C)(C)O1
InChIInChI=1S/C12H18IN3O/c1-11(2)6-16(7-12(3,4)17-11)10-9(13)5-14-8-15-10/h5,8H,6-7H2,1-4H3
InChIKeyMFOISENDAPNWRA-UHFFFAOYSA-N
XLogP2.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-5-amine
CID 102742862
5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 67539377
5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 65418435
3-(5-iodopyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 66319531
4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid
CID 150512037
N-[[1-(5-iodopyrimidin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 66319770
2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine
CID 102937255
1-[4-(5-iodopyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 66320868
4-(6-chloro-5-nitropyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 102745056
8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 164653495
2-[1-(5-iodopyrimidin-4-yl)piperidin-4-yl]-N-methylethanamine
CID 66321092
4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974511

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine (CID 102745301) is 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine is CC1(C)CN(c2ncncc2I)CC(C)(C)O1.
What is the InChIKey of 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
The InChIKey is MFOISENDAPNWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-11(2)6-16(7-12(3,4)17-11)10-9(13)5-14-8-15-10/h5,8H,6-7H2,1-4H3.
What are the key properties of 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine has a molecular weight of 347.20 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102745301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).