2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine

C11H16ClN3O — CID 155039113

IUPAC2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine
SMILESCC(C)N1CC(COc2cnc(Cl)nc2)C1
InChIInChI=1S/C11H16ClN3O/c1-8(2)15-5-9(6-15)7-16-10-3-13-11(12)14-4-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyGHRKLGVUQYLHIR-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.85
Rot. Bonds4

About 2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine

2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine (PubChem CID 155039113) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine
PubChem CID155039113
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine
SMILESCC(C)N1CC(COc2cnc(Cl)nc2)C1
InChIInChI=1S/C11H16ClN3O/c1-8(2)15-5-9(6-15)7-16-10-3-13-11(12)14-4-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyGHRKLGVUQYLHIR-UHFFFAOYSA-N
XLogP1.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-5-(azetidin-2-ylmethoxy)pyrimidine
CID 10464674
5-((S)-1-Methyl-azetidin-2-ylmethoxy)-pyrimidine
CID 44325671
5-(1-Methyl-pyrrolidin-3-yloxy)-pyrimidine
CID 44325618
2-Chloro-5-(propan-2-yloxy)pyrimidine
CID 58057924
2-Chloro-5-(prop-2-yn-1-yloxy)pyrimidine
CID 165834537
5-Hexoxypyrimidine
CID 20092131
5-Ethoxypyrimidine
CID 19921688
2-Chloro-5-((2,2-difluorocyclopropyl)methoxy)pyrimidine
CID 86687916
2-Chloro-5-((1-(2-fluoro-2-methylpropyl)piperidin-4-yl)methoxy)pyrimidine
CID 90018951
2-chloro-5-[[(1R)-2,2-difluorocyclopropyl]methoxy]pyrimidine
CID 117653916
2-Chloro-5-(2-fluoroethoxy)pyrimidine
CID 118939585
2-Chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine
CID 123600335

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine?
The IUPAC name of 2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine (CID 155039113) is 2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine is CC(C)N1CC(COc2cnc(Cl)nc2)C1.
What is the InChIKey of 2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine?
The InChIKey is GHRKLGVUQYLHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(2)15-5-9(6-15)7-16-10-3-13-11(12)14-4-10/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine?
2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine has a molecular weight of 241.72 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine is sourced from PubChem (CID 155039113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).