4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine

C12H18IN3O — CID 138049511

IUPAC4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine
SMILESCC(C)(C)c1ncc(I)c(N2CCOCC2)n1
InChIInChI=1S/C12H18IN3O/c1-12(2,3)11-14-8-9(13)10(15-11)16-4-6-17-7-5-16/h8H,4-7H2,1-3H3
InChIKeyACQVBGPWRNNXII-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.22
Rot. Bonds1

About 4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine

4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine (PubChem CID 138049511) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine
PubChem CID138049511
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine
SMILESCC(C)(C)c1ncc(I)c(N2CCOCC2)n1
InChIInChI=1S/C12H18IN3O/c1-12(2,3)11-14-8-9(13)10(15-11)16-4-6-17-7-5-16/h8H,4-7H2,1-3H3
InChIKeyACQVBGPWRNNXII-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 123482741
4-(6-chloro-3-iodopyrazin-2-yl)morpholine
CID 165356549
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)morpholine
CID 58523596
5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide
CID 130197461
2-morpholin-4-ylpyridine-3,5-diamine
CID 21082858
4-[5-tert-butyl-2-[(3-chloro-2-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 123283702
4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine
CID 102544855
5-bromo-4-methyl-6-morpholin-4-ylpyridin-3-amine
CID 104506171
9-(2-tert-butylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 126806735
4-(2-chloro-6-iodo-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine
CID 166155958
5-chloro-2-morpholin-4-ylpyridin-3-amine
CID 80503744
5-iodo-4-N-[3-(8-methyl-2-morpholin-4-ylquinolin-3-yl)propyl]pyrimidine-2,4-diamine
CID 90272808

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine (CID 138049511) is 4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine is CC(C)(C)c1ncc(I)c(N2CCOCC2)n1.
What is the InChIKey of 4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine?
The InChIKey is ACQVBGPWRNNXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-12(2,3)11-14-8-9(13)10(15-11)16-4-6-17-7-5-16/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine?
4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine has a molecular weight of 347.20 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine is sourced from PubChem (CID 138049511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).