4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine

C11H12ClN5O — CID 87606474

IUPAC4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine
SMILESClc1cc(-c2ncc[nH]2)nc(N2CCOCC2)n1
InChIInChI=1S/C11H12ClN5O/c12-9-7-8(10-13-1-2-14-10)15-11(16-9)17-3-5-18-6-4-17/h1-2,7H,3-6H2,(H,13,14)
InChIKeyUHYMZNVFHRCHPT-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.36
Rot. Bonds2

About 4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine

4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 87606474) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine
PubChem CID87606474
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine
SMILESClc1cc(-c2ncc[nH]2)nc(N2CCOCC2)n1
InChIInChI=1S/C11H12ClN5O/c12-9-7-8(10-13-1-2-14-10)15-11(16-9)17-3-5-18-6-4-17/h1-2,7H,3-6H2,(H,13,14)
InChIKeyUHYMZNVFHRCHPT-UHFFFAOYSA-N
XLogP1.36
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine (CID 87606474) is 4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine is Clc1cc(-c2ncc[nH]2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is UHYMZNVFHRCHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c12-9-7-8(10-13-1-2-14-10)15-11(16-9)17-3-5-18-6-4-17/h1-2,7H,3-6H2,(H,13,14).
What are the key properties of 4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine?
4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 265.70 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 87606474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).