4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol

C13H20ClN3O2 — CID 58085746

IUPAC4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1nc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C13H20ClN3O2/c1-13(2,18)4-3-11-15-10(14)9-12(16-11)17-5-7-19-8-6-17/h9,18H,3-8H2,1-2H3
InChIKeyNURQAWAOBPJRQM-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.67
Rot. Bonds4

About 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol

4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol (PubChem CID 58085746) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol
PubChem CID58085746
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1nc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C13H20ClN3O2/c1-13(2,18)4-3-11-15-10(14)9-12(16-11)17-5-7-19-8-6-17/h9,18H,3-8H2,1-2H3
InChIKeyNURQAWAOBPJRQM-UHFFFAOYSA-N
XLogP1.67
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.67
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-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol (CID 58085746) is 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol is CC(C)(O)CCc1nc(Cl)cc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol?
The InChIKey is NURQAWAOBPJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-13(2,18)4-3-11-15-10(14)9-12(16-11)17-5-7-19-8-6-17/h9,18H,3-8H2,1-2H3.
What are the key properties of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol?
4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol has a molecular weight of 285.77 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 58085746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).