4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine

C12H17ClIN3O — CID 66291960

IUPAC4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine
SMILESCC(C)(C)c1nc(N2CCOCC2)nc(Cl)c1I
InChIInChI=1S/C12H17ClIN3O/c1-12(2,3)9-8(14)10(13)16-11(15-9)17-4-6-18-7-5-17/h4-7H2,1-3H3
InChIKeyYMVKPAAAMOLMDO-UHFFFAOYSA-N
MW381.65 g/mol
LogP2.87
Rot. Bonds1

About 4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine

4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine (PubChem CID 66291960) has the molecular formula C12H17ClIN3O and a molecular weight of 381.65 g/mol. Its IUPAC name is 4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine
PubChem CID66291960
Molecular FormulaC12H17ClIN3O
Molecular Weight381.65 g/mol
Exact Mass381.01
IUPAC Name4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine
SMILESCC(C)(C)c1nc(N2CCOCC2)nc(Cl)c1I
InChIInChI=1S/C12H17ClIN3O/c1-12(2,3)9-8(14)10(13)16-11(15-9)17-4-6-18-7-5-17/h4-7H2,1-3H3
InChIKeyYMVKPAAAMOLMDO-UHFFFAOYSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.65
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine (CID 66291960) is 4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine is CC(C)(C)c1nc(N2CCOCC2)nc(Cl)c1I.
What is the InChIKey of 4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine?
The InChIKey is YMVKPAAAMOLMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClIN3O/c1-12(2,3)9-8(14)10(13)16-11(15-9)17-4-6-18-7-5-17/h4-7H2,1-3H3.
What are the key properties of 4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine?
4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine has a molecular weight of 381.65 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)morpholine is sourced from PubChem (CID 66291960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).